N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

C18H21ClN4O — CID 109208641

IUPACN-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C18H21ClN4O/c1-2-22-8-10-23(11-9-22)16-6-7-20-17(13-16)18(24)21-15-5-3-4-14(19)12-15/h3-7,12-13H,2,8-11H2,1H3,(H,21,24)
InChIKeyDXJFLDVKUNHIKY-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.13
Rot. Bonds4

About N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208641) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208641
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C18H21ClN4O/c1-2-22-8-10-23(11-9-22)16-6-7-20-17(13-16)18(24)21-15-5-3-4-14(19)12-15/h3-7,12-13H,2,8-11H2,1H3,(H,21,24)
InChIKeyDXJFLDVKUNHIKY-UHFFFAOYSA-N
XLogP3.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109208700
N-(3-chlorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174520
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208641) is N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is CCN1CCN(c2ccnc(C(=O)Nc3cccc(Cl)c3)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is DXJFLDVKUNHIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-2-22-8-10-23(11-9-22)16-6-7-20-17(13-16)18(24)21-15-5-3-4-14(19)12-15/h3-7,12-13H,2,8-11H2,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).