4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H23N5O2 — CID 3296619

IUPAC4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2cn(C)nc2C)C2=C(CCCC2=O)N1
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/h4-5,9-11,19,23H,6-8H2,1-3H3,(H,22,24,28)
InChIKeyUNSFWBFCVVODML-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.73
Rot. Bonds3

About 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3296619) 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-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3296619
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2cn(C)nc2C)C2=C(CCCC2=O)N1
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/h4-5,9-11,19,23H,6-8H2,1-3H3,(H,22,24,28)
InChIKeyUNSFWBFCVVODML-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3296619) is 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2cn(C)nc2C)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is UNSFWBFCVVODML-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/h4-5,9-11,19,23H,6-8H2,1-3H3,(H,22,24,28).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.73, 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-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3296619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).