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

C27H29ClN4O2 — CID 155227931

IUPACN-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(C=C3CCN(C(=O)C4CCCC4)CC3)c2C)cc1C#N
InChIInChI=1S/C27H29ClN4O2/c1-17-21(11-19-7-9-32(10-8-19)27(34)20-5-3-4-6-20)13-24(28)14-25(17)31-26(33)23-12-22(15-29)18(2)30-16-23/h11-14,16,20H,3-10H2,1-2H3,(H,31,33)
InChIKeyDAMPMAOHFBQSOT-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.67
Rot. Bonds4

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

N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide (PubChem CID 155227931) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
PubChem CID155227931
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC NameN-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(C=C3CCN(C(=O)C4CCCC4)CC3)c2C)cc1C#N
InChIInChI=1S/C27H29ClN4O2/c1-17-21(11-19-7-9-32(10-8-19)27(34)20-5-3-4-6-20)13-24(28)14-25(17)31-26(33)23-12-22(15-29)18(2)30-16-23/h11-14,16,20H,3-10H2,1-2H3,(H,31,33)
InChIKeyDAMPMAOHFBQSOT-UHFFFAOYSA-N
XLogP5.67
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide (CID 155227931) is N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(Cl)cc(C=C3CCN(C(=O)C4CCCC4)CC3)c2C)cc1C#N.
What is the InChIKey of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide?
The InChIKey is DAMPMAOHFBQSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-17-21(11-19-7-9-32(10-8-19)27(34)20-5-3-4-6-20)13-24(28)14-25(17)31-26(33)23-12-22(15-29)18(2)30-16-23/h11-14,16,20H,3-10H2,1-2H3,(H,31,33).
What are the key properties of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide?
N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155227931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).