2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide

C13H17ClN2O2 — CID 103742502

IUPAC2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cccnc2Cl)CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-13(4-7-18-8-5-13)9-16-12(17)10-3-2-6-15-11(10)14/h2-3,6H,4-5,7-9H2,1H3,(H,16,17)
InChIKeyCKUBCQBNEAOQFW-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide

2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 103742502) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
PubChem CID103742502
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cccnc2Cl)CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-13(4-7-18-8-5-13)9-16-12(17)10-3-2-6-15-11(10)14/h2-3,6H,4-5,7-9H2,1H3,(H,16,17)
InChIKeyCKUBCQBNEAOQFW-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
CID 113253039
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528718
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-[[(1R,2S)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-3-carboxamide
CID 95972424
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103748473
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
CID 113248375
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide (CID 103742502) is 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide is CC1(CNC(=O)c2cccnc2Cl)CCOCC1.
What is the InChIKey of 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CKUBCQBNEAOQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(4-7-18-8-5-13)9-16-12(17)10-3-2-6-15-11(10)14/h2-3,6H,4-5,7-9H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103742502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).