5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

C16H22N6O — CID 71547341

IUPAC5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NCC(C)N)cnc2C(N)=O)c1
InChIInChI=1S/C16H22N6O/c1-9-4-11(3)21-14(5-9)22-13-6-12(19-7-10(2)17)8-20-15(13)16(18)23/h4-6,8,10,19H,7,17H2,1-3H3,(H2,18,23)(H,21,22)
InChIKeySWJWPESDDCJNDR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.70
Rot. Bonds6

About 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 71547341) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID71547341
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NCC(C)N)cnc2C(N)=O)c1
InChIInChI=1S/C16H22N6O/c1-9-4-11(3)21-14(5-9)22-13-6-12(19-7-10(2)17)8-20-15(13)16(18)23/h4-6,8,10,19H,7,17H2,1-3H3,(H2,18,23)(H,21,22)
InChIKeySWJWPESDDCJNDR-UHFFFAOYSA-N
XLogP1.70
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (CID 71547341) is 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1cc(C)nc(Nc2cc(NCC(C)N)cnc2C(N)=O)c1.
What is the InChIKey of 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is SWJWPESDDCJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-9-4-11(3)21-14(5-9)22-13-6-12(19-7-10(2)17)8-20-15(13)16(18)23/h4-6,8,10,19H,7,17H2,1-3H3,(H2,18,23)(H,21,22).
What are the key properties of 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 71547341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).