(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide

C18H21ClN4O — CID 25340743

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21ClN4O/c1-14(18(24)21-17-8-7-15(19)13-20-17)22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,20,21,24)/t14-/m0/s1
InChIKeyNVFRCZAZPGGBOS-AWEZNQCLSA-N
MW344.85 g/mol
LogP2.88
Rot. Bonds4

About (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 25340743) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID25340743
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21ClN4O/c1-14(18(24)21-17-8-7-15(19)13-20-17)22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,20,21,24)/t14-/m0/s1
InChIKeyNVFRCZAZPGGBOS-AWEZNQCLSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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(2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide
CID 99807599
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
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(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30721120
(2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
CID 95283753
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide (CID 25340743) is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is NVFRCZAZPGGBOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-14(18(24)21-17-8-7-15(19)13-20-17)22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,20,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 344.85 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 25340743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).