6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide

C24H28FN3O2 — CID 90899545

IUPAC6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1Cc1ccc(C(=O)NC2(C)CCCC2)cn1
InChIInChI=1S/C24H28FN3O2/c1-15-17(11-18(13-21(15)25)22(29)27-19-7-8-19)12-20-6-5-16(14-26-20)23(30)28-24(2)9-3-4-10-24/h5-6,11,13-14,19H,3-4,7-10,12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyRNLWAKASECDVAK-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.07
Rot. Bonds6

About 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide

6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide (PubChem CID 90899545) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide
PubChem CID90899545
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1Cc1ccc(C(=O)NC2(C)CCCC2)cn1
InChIInChI=1S/C24H28FN3O2/c1-15-17(11-18(13-21(15)25)22(29)27-19-7-8-19)12-20-6-5-16(14-26-20)23(30)28-24(2)9-3-4-10-24/h5-6,11,13-14,19H,3-4,7-10,12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyRNLWAKASECDVAK-UHFFFAOYSA-N
XLogP4.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
CID 68680738
3,5-difluoro-4-(methylamino)-N-(1-methylcyclopentyl)benzamide
CID 64688484
6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 86847937
methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 167979420
N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62169779
N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide
CID 155392150
N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
CID 142344711
6-[(2-methoxyphenyl)methyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 110090663
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
CID 115634311
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 174478722

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide (CID 90899545) is 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide is Cc1c(F)cc(C(=O)NC2CC2)cc1Cc1ccc(C(=O)NC2(C)CCCC2)cn1.
What is the InChIKey of 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The InChIKey is RNLWAKASECDVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-15-17(11-18(13-21(15)25)22(29)27-19-7-8-19)12-20-6-5-16(14-26-20)23(30)28-24(2)9-3-4-10-24/h5-6,11,13-14,19H,3-4,7-10,12H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 90899545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).