5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide

C25H27ClFN3O2 — CID 155212140

IUPAC5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)cc(C=C3CCN(C(=O)CC4CC4)CC3)c2C)cc1Cl
InChIInChI=1S/C25H27ClFN3O2/c1-15-19(9-18-5-7-30(8-6-18)24(31)10-17-3-4-17)11-21(27)13-23(15)29-25(32)20-12-22(26)16(2)28-14-20/h9,11-14,17H,3-8,10H2,1-2H3,(H,29,32)
InChIKeySCFQNDXNYYIGHG-UHFFFAOYSA-N
MW455.96 g/mol
LogP5.55
Rot. Bonds5

About 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide

5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide (PubChem CID 155212140) has the molecular formula C25H27ClFN3O2 and a molecular weight of 455.96 g/mol. Its IUPAC name is 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
PubChem CID155212140
Molecular FormulaC25H27ClFN3O2
Molecular Weight455.96 g/mol
Exact Mass455.18
IUPAC Name5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)cc(C=C3CCN(C(=O)CC4CC4)CC3)c2C)cc1Cl
InChIInChI=1S/C25H27ClFN3O2/c1-15-19(9-18-5-7-30(8-6-18)24(31)10-17-3-4-17)11-21(27)13-23(15)29-25(32)20-12-22(26)16(2)28-14-20/h9,11-14,17H,3-8,10H2,1-2H3,(H,29,32)
InChIKeySCFQNDXNYYIGHG-UHFFFAOYSA-N
XLogP5.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.96
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-4-fluoro-6-methylphenyl]-6-methylpyridine-3-carboxamide
CID 158232918
N-[4-chloro-2-[[1-(2-cyclobutylacetyl)piperidin-4-ylidene]methyl]-6-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 157459613
1-[4-[[5-chloro-2-methyl-3-(methylamino)phenyl]methylidene]piperidin-1-yl]-2-cyclobutylethanone
CID 155227950
N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 155227931
N-[5-chloro-3-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 175060337
5-chloro-N-[3-[[4-(2,2-difluorobutanoyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 130201719
5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride
CID 155212074
N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide
CID 130201686
N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyanopyridine-3-carboxamide
CID 155228058
5-chloro-N-[5-chloro-2-methyl-3-[[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 118542577
2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 118541226
5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133293875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide (CID 155212140) is 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(F)cc(C=C3CCN(C(=O)CC4CC4)CC3)c2C)cc1Cl.
What is the InChIKey of 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SCFQNDXNYYIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O2/c1-15-19(9-18-5-7-30(8-6-18)24(31)10-17-3-4-17)11-21(27)13-23(15)29-25(32)20-12-22(26)16(2)28-14-20/h9,11-14,17H,3-8,10H2,1-2H3,(H,29,32).
What are the key properties of 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide?
5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 455.96 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155212140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).