(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide

C15H18ClN5O — CID 164584521

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H18ClN5O/c1-10(15(22)19-14-3-2-12(16)8-17-14)21-7-5-11(9-21)13-4-6-18-20-13/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,18,20)(H,17,19,22)/t10-,11?/m0/s1
InChIKeyFOTBQVROVILPBW-VUWPPUDQSA-N
MW319.80 g/mol
LogP2.27
Rot. Bonds4

About (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide (PubChem CID 164584521) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
PubChem CID164584521
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H18ClN5O/c1-10(15(22)19-14-3-2-12(16)8-17-14)21-7-5-11(9-21)13-4-6-18-20-13/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,18,20)(H,17,19,22)/t10-,11?/m0/s1
InChIKeyFOTBQVROVILPBW-VUWPPUDQSA-N
XLogP2.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide (CID 164584521) is (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2ccn[nH]2)C1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is FOTBQVROVILPBW-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-10(15(22)19-14-3-2-12(16)8-17-14)21-7-5-11(9-21)13-4-6-18-20-13/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,18,20)(H,17,19,22)/t10-,11?/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 319.80 g/mol, XLogP of 2.27, 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-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 164584521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).