(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C16H19ClN6O — CID 25397777

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19ClN6O/c1-12(15(24)21-14-4-3-13(17)11-20-14)22-7-9-23(10-8-22)16-18-5-2-6-19-16/h2-6,11-12H,7-10H2,1H3,(H,20,21,24)/t12-/m1/s1
InChIKeyBWSPPAMPLGRUSZ-GFCCVEGCSA-N
MW346.82 g/mol
LogP1.67
Rot. Bonds4

About (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 25397777) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID25397777
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19ClN6O/c1-12(15(24)21-14-4-3-13(17)11-20-14)22-7-9-23(10-8-22)16-18-5-2-6-19-16/h2-6,11-12H,7-10H2,1H3,(H,20,21,24)/t12-/m1/s1
InChIKeyBWSPPAMPLGRUSZ-GFCCVEGCSA-N
XLogP1.67
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445447
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
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(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041
(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8023118
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 25397777) is (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is BWSPPAMPLGRUSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-12(15(24)21-14-4-3-13(17)11-20-14)22-7-9-23(10-8-22)16-18-5-2-6-19-16/h2-6,11-12H,7-10H2,1H3,(H,20,21,24)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 346.82 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 25397777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).