6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine

C32H41ClN16O2 — CID 157137816

IUPAC6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine
SMILESCC(C)(C#N)c1cccc(Nc2cc(Cl)nnc2C(N)=O)n1.CC(C)(C#N)c1cccc(Nc2cc(NCCN)nnc2C(N)=O)n1.NCCN
InChIInChI=1S/C16H20N8O.C14H13ClN6O.C2H8N2/c1-16(2,9-18)11-4-3-5-12(22-11)21-10-8-13(20-7-6-17)23-24-14(10)15(19)25;1-14(2,7-16)9-4-3-5-11(19-9)18-8-6-10(15)20-21-12(8)13(17)22;3-1-2-4/h3-5,8H,6-7,17H2,1-2H3,(H2,19,25)(H2,20,21,22,23);3-6H,1-2H3,(H2,17,22)(H,18,19,20);1-4H2
InChIKeyAJVJHBUNXYYUCE-UHFFFAOYSA-N
MW717.24 g/mol
LogP1.96
Rot. Bonds12

About 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine

6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine (PubChem CID 157137816) has the molecular formula C32H41ClN16O2 and a molecular weight of 717.24 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine.

Molecular Properties

Compound Name6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine
PubChem CID157137816
Molecular FormulaC32H41ClN16O2
Molecular Weight717.24 g/mol
Exact Mass716.33
IUPAC Name6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine
SMILESCC(C)(C#N)c1cccc(Nc2cc(Cl)nnc2C(N)=O)n1.CC(C)(C#N)c1cccc(Nc2cc(NCCN)nnc2C(N)=O)n1.NCCN
InChIInChI=1S/C16H20N8O.C14H13ClN6O.C2H8N2/c1-16(2,9-18)11-4-3-5-12(22-11)21-10-8-13(20-7-6-17)23-24-14(10)15(19)25;1-14(2,7-16)9-4-3-5-11(19-9)18-8-6-10(15)20-21-12(8)13(17)22;3-1-2-4/h3-5,8H,6-7,17H2,1-2H3,(H2,19,25)(H2,20,21,22,23);3-6H,1-2H3,(H2,17,22)(H,18,19,20);1-4H2
InChIKeyAJVJHBUNXYYUCE-UHFFFAOYSA-N
XLogP1.96
TPSA325.25 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.24
LogP ≤ 51.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 86689794
6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 86689737
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 71626099
4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 126627684
tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 142769615
6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide
CID 159063742
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 86689788
5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127786
tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate
CID 123358274
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626818
6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 126627924

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine?
The IUPAC name of 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine (CID 157137816) is 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine.
What is the SMILES notation for 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine?
The canonical SMILES for 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine is CC(C)(C#N)c1cccc(Nc2cc(Cl)nnc2C(N)=O)n1.CC(C)(C#N)c1cccc(Nc2cc(NCCN)nnc2C(N)=O)n1.NCCN.
What is the InChIKey of 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine?
The InChIKey is AJVJHBUNXYYUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O.C14H13ClN6O.C2H8N2/c1-16(2,9-18)11-4-3-5-12(22-11)21-10-8-13(20-7-6-17)23-24-14(10)15(19)25;1-14(2,7-16)9-4-3-5-11(19-9)18-8-6-10(15)20-21-12(8)13(17)22;3-1-2-4/h3-5,8H,6-7,17H2,1-2H3,(H2,19,25)(H2,20,21,22,23);3-6H,1-2H3,(H2,17,22)(H,18,19,20);1-4H2.
What are the key properties of 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine?
6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine has a molecular weight of 717.24 g/mol, XLogP of 1.96, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine is sourced from PubChem (CID 157137816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).