N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide

C21H21N3O2 — CID 154781253

IUPACN-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCc1ccnc(NC(=O)c2c(C)c(=O)n(C)c3ccccc23)c1C1CC1
InChIInChI=1S/C21H21N3O2/c1-12-10-11-22-19(17(12)14-8-9-14)23-20(25)18-13(2)21(26)24(3)16-7-5-4-6-15(16)18/h4-7,10-11,14H,8-9H2,1-3H3,(H,22,23,25)
InChIKeyFERONIOUWDSYFC-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.68
Rot. Bonds3

About N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide

N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide (PubChem CID 154781253) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide
PubChem CID154781253
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCc1ccnc(NC(=O)c2c(C)c(=O)n(C)c3ccccc23)c1C1CC1
InChIInChI=1S/C21H21N3O2/c1-12-10-11-22-19(17(12)14-8-9-14)23-20(25)18-13(2)21(26)24(3)16-7-5-4-6-15(16)18/h4-7,10-11,14H,8-9H2,1-3H3,(H,22,23,25)
InChIKeyFERONIOUWDSYFC-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide (CID 154781253) is N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide is Cc1ccnc(NC(=O)c2c(C)c(=O)n(C)c3ccccc23)c1C1CC1.
What is the InChIKey of N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
The InChIKey is FERONIOUWDSYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12-10-11-22-19(17(12)14-8-9-14)23-20(25)18-13(2)21(26)24(3)16-7-5-4-6-15(16)18/h4-7,10-11,14H,8-9H2,1-3H3,(H,22,23,25).
What are the key properties of N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 154781253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).