4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide

C18H17N3O — CID 141041513

IUPAC4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(CNCc2ccccn2)c2ccccc12
InChIInChI=1S/C18H17N3O/c19-18(22)17-9-8-13(15-6-1-2-7-16(15)17)11-20-12-14-5-3-4-10-21-14/h1-10,20H,11-12H2,(H2,19,22)
InChIKeyICBCIRPLFKIEQN-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.62
Rot. Bonds5

About 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide

4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide (PubChem CID 141041513) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide
PubChem CID141041513
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(CNCc2ccccn2)c2ccccc12
InChIInChI=1S/C18H17N3O/c19-18(22)17-9-8-13(15-6-1-2-7-16(15)17)11-20-12-14-5-3-4-10-21-14/h1-10,20H,11-12H2,(H2,19,22)
InChIKeyICBCIRPLFKIEQN-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
2-[3-[(pyridin-2-ylmethylamino)methyl]indol-1-yl]acetic acid
CID 102535957
5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371

Frequently Asked Questions

What is the IUPAC name of 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide?
The IUPAC name of 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide (CID 141041513) is 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide is NC(=O)c1ccc(CNCc2ccccn2)c2ccccc12.
What is the InChIKey of 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide?
The InChIKey is ICBCIRPLFKIEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-18(22)17-9-8-13(15-6-1-2-7-16(15)17)11-20-12-14-5-3-4-10-21-14/h1-10,20H,11-12H2,(H2,19,22).
What are the key properties of 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide?
4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 141041513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).