5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

C18H24ClN3O2 — CID 72885092

IUPAC5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C18H24ClN3O2/c19-15-7-12(8-20-18(15)24)17(23)21-16-10-22(13-3-1-2-4-13)9-14(16)11-5-6-11/h7-8,11,13-14,16H,1-6,9-10H2,(H,20,24)(H,21,23)/t14-,16+/m1/s1
InChIKeyLNDXKTQWYVCIQS-ZBFHGGJFSA-N
MW349.86 g/mol
LogP2.41
Rot. Bonds4

About 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 72885092) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID72885092
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C18H24ClN3O2/c19-15-7-12(8-20-18(15)24)17(23)21-16-10-22(13-3-1-2-4-13)9-14(16)11-5-6-11/h7-8,11,13-14,16H,1-6,9-10H2,(H,20,24)(H,21,23)/t14-,16+/m1/s1
InChIKeyLNDXKTQWYVCIQS-ZBFHGGJFSA-N
XLogP2.41
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 72885092) is 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LNDXKTQWYVCIQS-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-15-7-12(8-20-18(15)24)17(23)21-16-10-22(13-3-1-2-4-13)9-14(16)11-5-6-11/h7-8,11,13-14,16H,1-6,9-10H2,(H,20,24)(H,21,23)/t14-,16+/m1/s1.
What are the key properties of 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72885092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).