4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide

C13H17ClN2O3 — CID 114948839

IUPAC4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-16(9-13(18)3-6-19-7-4-13)12(17)10-8-15-5-2-11(10)14/h2,5,8,18H,3-4,6-7,9H2,1H3
InChIKeyAWKHRVMUDWZPCO-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.35
Rot. Bonds3

About 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide

4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 114948839) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID114948839
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-16(9-13(18)3-6-19-7-4-13)12(17)10-8-15-5-2-11(10)14/h2,5,8,18H,3-4,6-7,9H2,1H3
InChIKeyAWKHRVMUDWZPCO-UHFFFAOYSA-N
XLogP1.35
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-iodo-N-methylbenzamide
CID 105341207
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584
3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide
CID 105388683
5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575
3-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 105071494
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide (CID 114948839) is 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide is CN(CC1(O)CCOCC1)C(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is AWKHRVMUDWZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16(9-13(18)3-6-19-7-4-13)12(17)10-8-15-5-2-11(10)14/h2,5,8,18H,3-4,6-7,9H2,1H3.
What are the key properties of 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide?
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 114948839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).