3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide

C19H17ClN4O2 — CID 18408378

IUPAC3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2C#N)c(C(=O)NCC2CC2)n1
InChIInChI=1S/C19H17ClN4O2/c1-11-5-8-13(17(23-11)19(26)22-10-12-6-7-12)18(25)24-16-4-2-3-15(20)14(16)9-21/h2-5,8,12H,6-7,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyKBMJSRBMOOLDFV-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.31
Rot. Bonds5

About 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide

3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide (PubChem CID 18408378) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
PubChem CID18408378
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2C#N)c(C(=O)NCC2CC2)n1
InChIInChI=1S/C19H17ClN4O2/c1-11-5-8-13(17(23-11)19(26)22-10-12-6-7-12)18(25)24-16-4-2-3-15(20)14(16)9-21/h2-5,8,12H,6-7,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyKBMJSRBMOOLDFV-UHFFFAOYSA-N
XLogP3.31
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
The IUPAC name of 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide (CID 18408378) is 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2C#N)c(C(=O)NCC2CC2)n1.
What is the InChIKey of 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
The InChIKey is KBMJSRBMOOLDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11-5-8-13(17(23-11)19(26)22-10-12-6-7-12)18(25)24-16-4-2-3-15(20)14(16)9-21/h2-5,8,12H,6-7,10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide?
3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-2-cyanophenyl)-2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide is sourced from PubChem (CID 18408378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).