6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide

C20H21ClN4O2 — CID 69399827

IUPAC6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C20H21ClN4O2/c21-17-5-2-1-4-16(17)20(27)25-11-3-10-24(13-25)18-9-6-14(12-22-18)19(26)23-15-7-8-15/h1-2,4-6,9,12,15H,3,7-8,10-11,13H2,(H,23,26)
InChIKeyVFAZVECAYYANSQ-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.94
Rot. Bonds4

About 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide

6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 69399827) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
PubChem CID69399827
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C20H21ClN4O2/c21-17-5-2-1-4-16(17)20(27)25-11-3-10-24(13-25)18-9-6-14(12-22-18)19(26)23-15-7-8-15/h1-2,4-6,9,12,15H,3,7-8,10-11,13H2,(H,23,26)
InChIKeyVFAZVECAYYANSQ-UHFFFAOYSA-N
XLogP2.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399658
6-(azetidin-1-yl)-N-[4-(pyridin-2-ylamino)cyclohexyl]pyridine-3-carboxamide
CID 136584132
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399821
cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-piperidin-3-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119425253
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698
6-pyrrolidin-1-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
CID 95771822
6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide
CID 122151432
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide (CID 69399827) is 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2)nc1.
What is the InChIKey of 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is VFAZVECAYYANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-17-5-2-1-4-16(17)20(27)25-11-3-10-24(13-25)18-9-6-14(12-22-18)19(26)23-15-7-8-15/h1-2,4-6,9,12,15H,3,7-8,10-11,13H2,(H,23,26).
What are the key properties of 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide?
6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 69399827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).