5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C19H18N4O — CID 109235533

IUPAC5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NCc3ccncc3)c2)c1
InChIInChI=1S/C19H18N4O/c1-14-3-2-4-17(9-14)23-18-10-16(12-21-13-18)19(24)22-11-15-5-7-20-8-6-15/h2-10,12-13,23H,11H2,1H3,(H,22,24)
InChIKeyQONABQJEOITBIU-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.46
Rot. Bonds5

About 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235533) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109235533
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NCc3ccncc3)c2)c1
InChIInChI=1S/C19H18N4O/c1-14-3-2-4-17(9-14)23-18-10-16(12-21-13-18)19(24)22-11-15-5-7-20-8-6-15/h2-10,12-13,23H,11H2,1H3,(H,22,24)
InChIKeyQONABQJEOITBIU-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235617
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109235533) is 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is Cc1cccc(Nc2cncc(C(=O)NCc3ccncc3)c2)c1.
What is the InChIKey of 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QONABQJEOITBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-3-2-4-17(9-14)23-18-10-16(12-21-13-18)19(24)22-11-15-5-7-20-8-6-15/h2-10,12-13,23H,11H2,1H3,(H,22,24).
What are the key properties of 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).