N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide

C18H16N4O — CID 113031564

IUPACN-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccnc3)nc2)cc1
InChIInChI=1S/C18H16N4O/c1-13-4-6-15(7-5-13)21-16-8-9-17(20-12-16)22-18(23)14-3-2-10-19-11-14/h2-12,21H,1H3,(H,20,22,23)
InChIKeyFMJBNWZAXKDWOA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

About N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide

N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 113031564) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID113031564
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccnc3)nc2)cc1
InChIInChI=1S/C18H16N4O/c1-13-4-6-15(7-5-13)21-16-8-9-17(20-12-16)22-18(23)14-3-2-10-19-11-14/h2-12,21H,1H3,(H,20,22,23)
InChIKeyFMJBNWZAXKDWOA-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364
N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113036060
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide (CID 113031564) is N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide is Cc1ccc(Nc2ccc(NC(=O)c3cccnc3)nc2)cc1.
What is the InChIKey of N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is FMJBNWZAXKDWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-4-6-15(7-5-13)21-16-8-9-17(20-12-16)22-18(23)14-3-2-10-19-11-14/h2-12,21H,1H3,(H,20,22,23).
What are the key properties of N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113031564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).