2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide

C14H16N4O — CID 174625318

IUPAC2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNCc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C14H16N4O/c15-8-10-3-5-11(6-4-10)9-18-14(19)12-2-1-7-17-13(12)16/h1-7H,8-9,15H2,(H2,16,17)(H,18,19)
InChIKeyRNHSJLPSKQMORM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide

2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 174625318) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID174625318
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNCc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C14H16N4O/c15-8-10-3-5-11(6-4-10)9-18-14(19)12-2-1-7-17-13(12)16/h1-7H,8-9,15H2,(H2,16,17)(H,18,19)
InChIKeyRNHSJLPSKQMORM-UHFFFAOYSA-N
XLogP1.05
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-amino-N-[(5-benzylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 23130667

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide (CID 174625318) is 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide is NCc1ccc(CNC(=O)c2cccnc2N)cc1.
What is the InChIKey of 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is RNHSJLPSKQMORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-10-3-5-11(6-4-10)9-18-14(19)12-2-1-7-17-13(12)16/h1-7H,8-9,15H2,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 174625318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).