6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide

C14H17ClN2O2 — CID 55052541

IUPAC6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1cccc(Cl)n1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c15-13-3-1-2-12(16-13)14(18)17(11-4-5-11)8-10-6-7-19-9-10/h1-3,10-11H,4-9H2
InChIKeyTYLAUHGFLWKSMO-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.38
Rot. Bonds4

About 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide

6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 55052541) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
PubChem CID55052541
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1cccc(Cl)n1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c15-13-3-1-2-12(16-13)14(18)17(11-4-5-11)8-10-6-7-19-9-10/h1-3,10-11H,4-9H2
InChIKeyTYLAUHGFLWKSMO-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
4-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 81226868
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114917944
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 66482961
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992
N-cyclopropyl-5-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 94026173
4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
CID 119715180
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
6-chloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 55211893

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide (CID 55052541) is 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide is O=C(c1cccc(Cl)n1)N(CC1CCOC1)C1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is TYLAUHGFLWKSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-13-3-1-2-12(16-13)14(18)17(11-4-5-11)8-10-6-7-19-9-10/h1-3,10-11H,4-9H2.
What are the key properties of 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 55052541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).