(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

C16H20ClN5O — CID 94799522

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H20ClN5O/c1-11(16(23)20-15-3-2-13(17)10-18-15)22-8-5-12(6-9-22)14-4-7-19-21-14/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,21)(H,18,20,23)/t11-/m0/s1
InChIKeyLVOQFAAFHHOZID-NSHDSACASA-N
MW333.82 g/mol
LogP2.66
Rot. Bonds4

About (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 94799522) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
PubChem CID94799522
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H20ClN5O/c1-11(16(23)20-15-3-2-13(17)10-18-15)22-8-5-12(6-9-22)14-4-7-19-21-14/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,21)(H,18,20,23)/t11-/m0/s1
InChIKeyLVOQFAAFHHOZID-NSHDSACASA-N
XLogP2.66
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
CID 164584521
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760283
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584542
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584667
N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584597

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (CID 94799522) is (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is LVOQFAAFHHOZID-NSHDSACASA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-11(16(23)20-15-3-2-13(17)10-18-15)22-8-5-12(6-9-22)14-4-7-19-21-14/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,21)(H,18,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 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-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 94799522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).