1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

C14H21N5O2 — CID 70717343

IUPAC1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)C3(N)CC3)C2)cc1=O
InChIInChI=1S/C14H21N5O2/c1-18-12(20)6-11(8-17-18)19-5-2-10(9-19)7-16-13(21)14(15)3-4-14/h6,8,10H,2-5,7,9,15H2,1H3,(H,16,21)
InChIKeyBDBFTUNAURQHHY-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.79
Rot. Bonds4

About 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 70717343) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID70717343
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)C3(N)CC3)C2)cc1=O
InChIInChI=1S/C14H21N5O2/c1-18-12(20)6-11(8-17-18)19-5-2-10(9-19)7-16-13(21)14(15)3-4-14/h6,8,10H,2-5,7,9,15H2,1H3,(H,16,21)
InChIKeyBDBFTUNAURQHHY-UHFFFAOYSA-N
XLogP-0.79
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 70721532
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-(pentan-3-YL)pyrrolidine-3-carboxamide
CID 91909551
1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]-N-[2-(piperidin-1-YL)ethyl]pyrrolidine-3-carboxamide
CID 91909578
1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide
CID 91920242
1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[2-(1-pyrrolidinyl)ethyl]-3-pyrrolidinecarboxamide
CID 91920243
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
CID 164631857

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 70717343) is 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is Cn1ncc(N2CCC(CNC(=O)C3(N)CC3)C2)cc1=O.
What is the InChIKey of 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is BDBFTUNAURQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-18-12(20)6-11(8-17-18)19-5-2-10(9-19)7-16-13(21)14(15)3-4-14/h6,8,10H,2-5,7,9,15H2,1H3,(H,16,21).
What are the key properties of 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70717343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).