4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide

C21H23N5O2 — CID 4751761

IUPAC4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide
SMILESC=C1NC2=C(C(=O)CCC2)C(c2cn(C)nc2C)C1C(=O)Nc1ccccn1
InChIInChI=1S/C21H23N5O2/c1-12-14(11-26(3)25-12)19-18(21(28)24-17-9-4-5-10-22-17)13(2)23-15-7-6-8-16(27)20(15)19/h4-5,9-11,18-19,23H,2,6-8H2,1,3H3,(H,22,24,28)
InChIKeyRTBVWYCLIWGERJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.59
Rot. Bonds3

About 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide

4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide (PubChem CID 4751761) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide
PubChem CID4751761
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide
SMILESC=C1NC2=C(C(=O)CCC2)C(c2cn(C)nc2C)C1C(=O)Nc1ccccn1
InChIInChI=1S/C21H23N5O2/c1-12-14(11-26(3)25-12)19-18(21(28)24-17-9-4-5-10-22-17)13(2)23-15-7-6-8-16(27)20(15)19/h4-5,9-11,18-19,23H,2,6-8H2,1,3H3,(H,22,24,28)
InChIKeyRTBVWYCLIWGERJ-UHFFFAOYSA-N
XLogP2.59
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methylidene-5-oxo-4-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5046526
4-[3-[[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-4-methoxyphenyl]-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide
CID 4748811
2-methylidene-4-(1-methylpyrazol-4-yl)-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide
CID 4751757
9-(1,3-dimethylpyrazol-4-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135636205
(4R)-4-(4-chlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230529
(4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848352
4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4748743
4-(4-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3555878
(4R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230511
(4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51409811
ethyl 4-(2-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4058936
(4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230535

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide (CID 4751761) is 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide is C=C1NC2=C(C(=O)CCC2)C(c2cn(C)nc2C)C1C(=O)Nc1ccccn1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide?
The InChIKey is RTBVWYCLIWGERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12-14(11-26(3)25-12)19-18(21(28)24-17-9-4-5-10-22-17)13(2)23-15-7-6-8-16(27)20(15)19/h4-5,9-11,18-19,23H,2,6-8H2,1,3H3,(H,22,24,28).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide?
4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-2-methylidene-5-oxo-N-pyridin-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide is sourced from PubChem (CID 4751761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).