N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide

C18H15N7O — CID 47061485

IUPACN-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNc2ncnc3nc[nH]c23)c1)c1ccncc1
InChIInChI=1S/C18H15N7O/c26-18(13-4-6-19-7-5-13)25-14-3-1-2-12(8-14)9-20-16-15-17(22-10-21-15)24-11-23-16/h1-8,10-11H,9H2,(H,25,26)(H2,20,21,22,23,24)
InChIKeyDWNWLAAFYQJPPW-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.61
Rot. Bonds5

About N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide

N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 47061485) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
PubChem CID47061485
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNc2ncnc3nc[nH]c23)c1)c1ccncc1
InChIInChI=1S/C18H15N7O/c26-18(13-4-6-19-7-5-13)25-14-3-1-2-12(8-14)9-20-16-15-17(22-10-21-15)24-11-23-16/h1-8,10-11H,9H2,(H,25,26)(H2,20,21,22,23,24)
InChIKeyDWNWLAAFYQJPPW-UHFFFAOYSA-N
XLogP2.61
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N-cyclopropyl-4-[(7H-purin-6-ylamino)methyl]benzamide
CID 47072892
N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56563652
N-[6-(benzylamino)-7H-purin-2-yl]benzamide
CID 155563377
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60527028
N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;N-(7H-purin-6-yl)benzamide
CID 161041846
4-[[3-[[4-(1H-imidazol-2-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763542
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine
CID 133472021
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide (CID 47061485) is N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(CNc2ncnc3nc[nH]c23)c1)c1ccncc1.
What is the InChIKey of N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is DWNWLAAFYQJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c26-18(13-4-6-19-7-5-13)25-14-3-1-2-12(8-14)9-20-16-15-17(22-10-21-15)24-11-23-16/h1-8,10-11H,9H2,(H,25,26)(H2,20,21,22,23,24).
What are the key properties of N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide?
N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47061485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).