4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide

C19H21ClN4O2 — CID 42850043

IUPAC4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-2-18(25)24-11-9-23(10-12-24)17-8-7-16(13-21-17)22-19(26)14-3-5-15(20)6-4-14/h3-8,13H,2,9-12H2,1H3,(H,22,26)
InChIKeyHGQOYJXYBCOQST-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide

4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 42850043) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID42850043
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-2-18(25)24-11-9-23(10-12-24)17-8-7-16(13-21-17)22-19(26)14-3-5-15(20)6-4-14/h3-8,13H,2,9-12H2,1H3,(H,22,26)
InChIKeyHGQOYJXYBCOQST-UHFFFAOYSA-N
XLogP3.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850042
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984
N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 69262675
N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42850057
ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
CID 46084352
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 42849885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 42850043) is 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide is CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is HGQOYJXYBCOQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-2-18(25)24-11-9-23(10-12-24)17-8-7-16(13-21-17)22-19(26)14-3-5-15(20)6-4-14/h3-8,13H,2,9-12H2,1H3,(H,22,26).
What are the key properties of 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide?
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 372.86 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 42850043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).