4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide

C16H14N4O — CID 107585398

IUPAC4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
SMILESCc1cncc(NC(=O)c2cc(N)c3ccccc3n2)c1
InChIInChI=1S/C16H14N4O/c1-10-6-11(9-18-8-10)19-16(21)15-7-13(17)12-4-2-3-5-14(12)20-15/h2-9H,1H3,(H2,17,20)(H,19,21)
InChIKeySVFZCYKSCAAHQF-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.77
Rot. Bonds2

About 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide

4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide (PubChem CID 107585398) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
PubChem CID107585398
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
SMILESCc1cncc(NC(=O)c2cc(N)c3ccccc3n2)c1
InChIInChI=1S/C16H14N4O/c1-10-6-11(9-18-8-10)19-16(21)15-7-13(17)12-4-2-3-5-14(12)20-15/h2-9H,1H3,(H2,17,20)(H,19,21)
InChIKeySVFZCYKSCAAHQF-UHFFFAOYSA-N
XLogP2.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
CID 63375115
4-amino-N-(4-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 63375284
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
CID 115751996
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620
4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid
CID 107585776
4-amino-N-(thiadiazol-5-yl)quinoline-2-carboxamide
CID 114912372
4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 63377505
1-chloro-N-(5-methyl-3-pyridinyl)isoquinoline-4-carboxamide
CID 106831970
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide (CID 107585398) is 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide is Cc1cncc(NC(=O)c2cc(N)c3ccccc3n2)c1.
What is the InChIKey of 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide?
The InChIKey is SVFZCYKSCAAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-6-11(9-18-8-10)19-16(21)15-7-13(17)12-4-2-3-5-14(12)20-15/h2-9H,1H3,(H2,17,20)(H,19,21).
What are the key properties of 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide?
4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide is sourced from PubChem (CID 107585398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).