6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide

C18H17N5O — CID 168928767

IUPAC6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(N)ccc3C)c2)ncn1
InChIInChI=1S/C18H17N5O/c1-11-3-4-14(19)6-15(11)12-5-13(9-21-8-12)16-7-17(18(24)20-2)23-10-22-16/h3-10H,19H2,1-2H3,(H,20,24)
InChIKeyRHDOPIJFPKLZQC-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.46
Rot. Bonds3

About 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide

6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide (PubChem CID 168928767) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
PubChem CID168928767
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(N)ccc3C)c2)ncn1
InChIInChI=1S/C18H17N5O/c1-11-3-4-14(19)6-15(11)12-5-13(9-21-8-12)16-7-17(18(24)20-2)23-10-22-16/h3-10H,19H2,1-2H3,(H,20,24)
InChIKeyRHDOPIJFPKLZQC-UHFFFAOYSA-N
XLogP2.46
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide
CID 168928933
4-amino-N,5-dimethylpyridine-2-carboxamide
CID 153471844
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
CID 155718233
N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 168930075
3-(6-iodosyl-3-pyridinyl)-4-methylaniline
CID 143943029
4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline
CID 68548753
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
4-[6-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]pyridine-2-carboxamide
CID 168929368
methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 176572423

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide (CID 168928767) is 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide is CNC(=O)c1cc(-c2cncc(-c3cc(N)ccc3C)c2)ncn1.
What is the InChIKey of 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
The InChIKey is RHDOPIJFPKLZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11-3-4-14(19)6-15(11)12-5-13(9-21-8-12)16-7-17(18(24)20-2)23-10-22-16/h3-10H,19H2,1-2H3,(H,20,24).
What are the key properties of 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 168928767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).