N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide

C18H17ClN4O2 — CID 71086730

IUPACN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C#N)n1
InChIInChI=1S/C18H17ClN4O2/c1-11-6-13(7-14(9-20)22-11)18(24)23-16-3-2-12(8-15(16)19)17-10-21-4-5-25-17/h2-3,6-8,17,21H,4-5,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyIPGPTRKNUKBFLK-QGZVFWFLSA-N
MW356.81 g/mol
LogP2.83
Rot. Bonds3

About N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide

N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide (PubChem CID 71086730) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide
PubChem CID71086730
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C#N)n1
InChIInChI=1S/C18H17ClN4O2/c1-11-6-13(7-14(9-20)22-11)18(24)23-16-3-2-12(8-15(16)19)17-10-21-4-5-25-17/h2-3,6-8,17,21H,4-5,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyIPGPTRKNUKBFLK-QGZVFWFLSA-N
XLogP2.83
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide (CID 71086730) is N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C#N)n1.
What is the InChIKey of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide?
The InChIKey is IPGPTRKNUKBFLK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-6-13(7-14(9-20)22-11)18(24)23-16-3-2-12(8-15(16)19)17-10-21-4-5-25-17/h2-3,6-8,17,21H,4-5,10H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide?
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 71086730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).