N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide

C13H14N4O — CID 143980472

IUPACN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide
SMILESNc1ncccc1NCc1cccc(NC=O)c1
InChIInChI=1S/C13H14N4O/c14-13-12(5-2-6-15-13)16-8-10-3-1-4-11(7-10)17-9-18/h1-7,9,16H,8H2,(H2,14,15)(H,17,18)
InChIKeyWDWBWXDJSANJCF-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.84
Rot. Bonds5

About N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide (PubChem CID 143980472) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide
PubChem CID143980472
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide
SMILESNc1ncccc1NCc1cccc(NC=O)c1
InChIInChI=1S/C13H14N4O/c14-13-12(5-2-6-15-13)16-8-10-3-1-4-11(7-10)17-9-18/h1-7,9,16H,8H2,(H2,14,15)(H,17,18)
InChIKeyWDWBWXDJSANJCF-UHFFFAOYSA-N
XLogP1.84
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide
CID 70234206
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 70234459
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 70233600
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
CID 70233896
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-bromothiophen-2-yl)ethanone
CID 58448850
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone
CID 58449100
N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]butanamide;N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]propanamide
CID 159199604
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 70234437
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine
CID 143980591
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 58448614
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone
CID 58448620
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-[4-(methylamino)but-2-ynoxy]pyrazine-2-carboxamide
CID 70233726

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide?
The IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide (CID 143980472) is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide.
What is the SMILES notation for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide?
The canonical SMILES for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide is Nc1ncccc1NCc1cccc(NC=O)c1.
What is the InChIKey of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide?
The InChIKey is WDWBWXDJSANJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-13-12(5-2-6-15-13)16-8-10-3-1-4-11(7-10)17-9-18/h1-7,9,16H,8H2,(H2,14,15)(H,17,18).
What are the key properties of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide?
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide has a molecular weight of 242.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide is sourced from PubChem (CID 143980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).