N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C15H18ClN5O — CID 56780407

IUPACN-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cccn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H18ClN5O/c16-12-4-5-14(17-9-12)19-15(22)11-20-7-1-3-13(20)10-21-8-2-6-18-21/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,17,19,22)
InChIKeyKXMLJVCSFYPNSN-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.03
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 56780407) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID56780407
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cccn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H18ClN5O/c16-12-4-5-14(17-9-12)19-15(22)11-20-7-1-3-13(20)10-21-8-2-6-18-21/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,17,19,22)
InChIKeyKXMLJVCSFYPNSN-UHFFFAOYSA-N
XLogP2.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 92612941
N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide
CID 95576835
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981076
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981073
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 92613187
N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 92612705
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95352596
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95147558
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95344571

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 56780407) is N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1Cn1cccn1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is KXMLJVCSFYPNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c16-12-4-5-14(17-9-12)19-15(22)11-20-7-1-3-13(20)10-21-8-2-6-18-21/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,17,19,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 319.80 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56780407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).