3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

C14H17ClN2O2 — CID 66482961

IUPAC3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c15-13-7-16-5-3-12(13)14(18)17(11-1-2-11)8-10-4-6-19-9-10/h3,5,7,10-11H,1-2,4,6,8-9H2
InChIKeyCYIGXSVYAJIRHO-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.38
Rot. Bonds4

About 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 66482961) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID66482961
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c15-13-7-16-5-3-12(13)14(18)17(11-1-2-11)8-10-4-6-19-9-10/h3,5,7,10-11H,1-2,4,6,8-9H2
InChIKeyCYIGXSVYAJIRHO-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

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Related Compounds

4-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 81226868
2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114917944
4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
CID 119715180
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
N-cyclopropyl-1,5-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94026181
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (CID 66482961) is 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is O=C(c1ccncc1Cl)N(CC1CCOC1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CYIGXSVYAJIRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-13-7-16-5-3-12(13)14(18)17(11-1-2-11)8-10-4-6-19-9-10/h3,5,7,10-11H,1-2,4,6,8-9H2.
What are the key properties of 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-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 3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).