N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide

C19H18N4O2 — CID 171504993

IUPACN-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
SMILESNCc1ccnc(NC(=O)c2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C19H18N4O2/c20-12-15-8-10-21-17(11-15)23-19(24)18-16(7-4-9-22-18)25-13-14-5-2-1-3-6-14/h1-11H,12-13,20H2,(H,21,23,24)
InChIKeyJRMGLHVEBKYGPL-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.77
Rot. Bonds6

About N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide

N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 171504993) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
PubChem CID171504993
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
SMILESNCc1ccnc(NC(=O)c2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C19H18N4O2/c20-12-15-8-10-21-17(11-15)23-19(24)18-16(7-4-9-22-18)25-13-14-5-2-1-3-6-14/h1-11H,12-13,20H2,(H,21,23,24)
InChIKeyJRMGLHVEBKYGPL-UHFFFAOYSA-N
XLogP2.77
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 171504992
N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 171504927
2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide
CID 171505059
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839
N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
CID 67691060
3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754
N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide
CID 21104163
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
N-[4-(aminomethyl)-2-pyridinyl]-3,3,3-trifluoropropanamide;2,2,2-trifluoroacetic acid
CID 162328777
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide (CID 171504993) is N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide is NCc1ccnc(NC(=O)c2ncccc2OCc2ccccc2)c1.
What is the InChIKey of N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is JRMGLHVEBKYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-12-15-8-10-21-17(11-15)23-19(24)18-16(7-4-9-22-18)25-13-14-5-2-1-3-6-14/h1-11H,12-13,20H2,(H,21,23,24).
What are the key properties of N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide?
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 171504993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).