N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide

C18H24ClN3O2 — CID 72889509

IUPACN-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1C1CC1)C1CCOCC1
InChIInChI=1S/C18H24ClN3O2/c19-14-3-4-17(20-9-14)22-10-15(12-1-2-12)16(11-22)21-18(23)13-5-7-24-8-6-13/h3-4,9,12-13,15-16H,1-2,5-8,10-11H2,(H,21,23)/t15-,16+/m1/s1
InChIKeyRLNCDWGXSXPPHI-CVEARBPZSA-N
MW349.86 g/mol
LogP2.49
Rot. Bonds4

About N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 72889509) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID72889509
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1C1CC1)C1CCOCC1
InChIInChI=1S/C18H24ClN3O2/c19-14-3-4-17(20-9-14)22-10-15(12-1-2-12)16(11-22)21-18(23)13-5-7-24-8-6-13/h3-4,9,12-13,15-16H,1-2,5-8,10-11H2,(H,21,23)/t15-,16+/m1/s1
InChIKeyRLNCDWGXSXPPHI-CVEARBPZSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3S,4R)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 72839154
6-[(3R,4S)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 133133387
N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 133126083
N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 72885762
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-(5-bromo-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992718
[(3aR,4S,6aS)-2-[5-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamic acid
CID 67400916
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide (CID 72889509) is N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide is O=C(N[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1C1CC1)C1CCOCC1.
What is the InChIKey of N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is RLNCDWGXSXPPHI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-14-3-4-17(20-9-14)22-10-15(12-1-2-12)16(11-22)21-18(23)13-5-7-24-8-6-13/h3-4,9,12-13,15-16H,1-2,5-8,10-11H2,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 72889509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).