3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide

C12H15ClN2O2 — CID 124679731

IUPAC3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCC[C@@H]1CCOC1)c1ccncc1Cl
InChIInChI=1S/C12H15ClN2O2/c13-11-7-14-4-2-10(11)12(16)15-5-1-9-3-6-17-8-9/h2,4,7,9H,1,3,5-6,8H2,(H,15,16)/t9-/m1/s1
InChIKeyTXDSOWDZYAONDR-SECBINFHSA-N
MW254.72 g/mol
LogP1.89
Rot. Bonds4

About 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide

3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide (PubChem CID 124679731) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
PubChem CID124679731
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCC[C@@H]1CCOC1)c1ccncc1Cl
InChIInChI=1S/C12H15ClN2O2/c13-11-7-14-4-2-10(11)12(16)15-5-1-9-3-6-17-8-9/h2,4,7,9H,1,3,5-6,8H2,(H,15,16)/t9-/m1/s1
InChIKeyTXDSOWDZYAONDR-SECBINFHSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 66482961
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide (CID 124679731) is 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide is O=C(NCC[C@@H]1CCOC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is TXDSOWDZYAONDR-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-7-14-4-2-10(11)12(16)15-5-1-9-3-6-17-8-9/h2,4,7,9H,1,3,5-6,8H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide?
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 124679731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).