N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide

C24H29N5O — CID 150292901

IUPACN-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1NC(=O)c1ccccn1
InChIInChI=1S/C24H29N5O/c1-15(2)12-21-19(14-26)22(18-9-7-17(13-25)8-10-18)23(16(3)28-21)29-24(30)20-6-4-5-11-27-20/h4-11,15H,12-14,25-26H2,1-3H3,(H,29,30)
InChIKeyGHYWUCDHPCGXGV-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.82
Rot. Bonds7

About N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide

N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 150292901) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID150292901
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1NC(=O)c1ccccn1
InChIInChI=1S/C24H29N5O/c1-15(2)12-21-19(14-26)22(18-9-7-17(13-25)8-10-18)23(16(3)28-21)29-24(30)20-6-4-5-11-27-20/h4-11,15H,12-14,25-26H2,1-3H3,(H,29,30)
InChIKeyGHYWUCDHPCGXGV-UHFFFAOYSA-N
XLogP3.82
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide (CID 150292901) is N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide is Cc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1NC(=O)c1ccccn1.
What is the InChIKey of N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is GHYWUCDHPCGXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-15(2)12-21-19(14-26)22(18-9-7-17(13-25)8-10-18)23(16(3)28-21)29-24(30)20-6-4-5-11-27-20/h4-11,15H,12-14,25-26H2,1-3H3,(H,29,30).
What are the key properties of N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide?
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 150292901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).