3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide

C17H15N3O — CID 61207819

IUPAC3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3ccccc3cc2N)c1
InChIInChI=1S/C17H15N3O/c1-11-6-7-19-16(8-11)20-17(21)14-9-12-4-2-3-5-13(12)10-15(14)18/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyCWVCBMYSMDDPQE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.38
Rot. Bonds2

About 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide

3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide (PubChem CID 61207819) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
PubChem CID61207819
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3ccccc3cc2N)c1
InChIInChI=1S/C17H15N3O/c1-11-6-7-19-16(8-11)20-17(21)14-9-12-4-2-3-5-13(12)10-15(14)18/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyCWVCBMYSMDDPQE-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-methyl-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81236114
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
CID 113228212
6-amino-N-(4-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542804
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
CID 115597396
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 82547054
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
2-(4-methoxyanilino)-N-(4-methyl-2-pyridinyl)benzamide
CID 52612517
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide (CID 61207819) is 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide is Cc1ccnc(NC(=O)c2cc3ccccc3cc2N)c1.
What is the InChIKey of 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide?
The InChIKey is CWVCBMYSMDDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-6-7-19-16(8-11)20-17(21)14-9-12-4-2-3-5-13(12)10-15(14)18/h2-10H,18H2,1H3,(H,19,20,21).
What are the key properties of 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide?
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide is sourced from PubChem (CID 61207819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).