5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide

C24H27N5O — CID 167555487

IUPAC5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C(CCCN1CCCCC1)=NC2
InChIInChI=1S/C24H27N5O/c1-17-12-18(14-25)15-27-23(17)24(30)28-20-8-7-19-16-26-22(21(19)13-20)6-5-11-29-9-3-2-4-10-29/h7-8,12-13,15H,2-6,9-11,16H2,1H3,(H,28,30)
InChIKeyCYNWMIOXIRYDFH-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.08
Rot. Bonds6

About 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide

5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide (PubChem CID 167555487) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide
PubChem CID167555487
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C(CCCN1CCCCC1)=NC2
InChIInChI=1S/C24H27N5O/c1-17-12-18(14-25)15-27-23(17)24(30)28-20-8-7-19-16-26-22(21(19)13-20)6-5-11-29-9-3-2-4-10-29/h7-8,12-13,15H,2-6,9-11,16H2,1H3,(H,28,30)
InChIKeyCYNWMIOXIRYDFH-UHFFFAOYSA-N
XLogP4.08
TPSA81.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
N-[3-(5-chlorothiophen-2-yl)-1H-isoindol-5-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 167641552
5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167662281
5-cyano-N-[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167549456
4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167691136
N-[(2R)-4-amino-2,5-dimethyl-6,6-dioxo-6λ6-thia-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 130383961
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 167611840
5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167683172
N-[3-[(4R,5R,6R)-2-amino-6-ethyl-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 126693378
5-cyano-3-methyl-N-[3-(5-methylfuran-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482541
5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482398
N-[4-amino-3-(oxetane-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482246

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide (CID 167555487) is 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide is Cc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C(CCCN1CCCCC1)=NC2.
What is the InChIKey of 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide?
The InChIKey is CYNWMIOXIRYDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17-12-18(14-25)15-27-23(17)24(30)28-20-8-7-19-16-26-22(21(19)13-20)6-5-11-29-9-3-2-4-10-29/h7-8,12-13,15H,2-6,9-11,16H2,1H3,(H,28,30).
What are the key properties of 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide?
5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167555487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).