2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide

C17H16N4O — CID 112523521

IUPAC2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide
SMILESCN1CCCc2cc(NC(=O)c3ccnc(C#N)c3)ccc21
InChIInChI=1S/C17H16N4O/c1-21-8-2-3-12-9-14(4-5-16(12)21)20-17(22)13-6-7-19-15(10-13)11-18/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)
InChIKeyGWAPXAVSTUKVTC-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.59
Rot. Bonds2

About 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide

2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide (PubChem CID 112523521) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide
PubChem CID112523521
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide
SMILESCN1CCCc2cc(NC(=O)c3ccnc(C#N)c3)ccc21
InChIInChI=1S/C17H16N4O/c1-21-8-2-3-12-9-14(4-5-16(12)21)20-17(22)13-6-7-19-15(10-13)11-18/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)
InChIKeyGWAPXAVSTUKVTC-UHFFFAOYSA-N
XLogP2.59
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112523546
1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)indole-5-carboxamide
CID 112523570
1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485892
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile
CID 99837253
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112523512
4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
CID 19760245
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-sulfamoylfuran-2-carboxamide
CID 112523527

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide (CID 112523521) is 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide is CN1CCCc2cc(NC(=O)c3ccnc(C#N)c3)ccc21.
What is the InChIKey of 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide?
The InChIKey is GWAPXAVSTUKVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-8-2-3-12-9-14(4-5-16(12)21)20-17(22)13-6-7-19-15(10-13)11-18/h4-7,9-10H,2-3,8H2,1H3,(H,20,22).
What are the key properties of 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide?
2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112523521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).