N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide

C11H15ClN2O3 — CID 106182637

IUPACN-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
SMILESCOCC(CCl)NC(=O)c1ccncc1OC
InChIInChI=1S/C11H15ClN2O3/c1-16-7-8(5-12)14-11(15)9-3-4-13-6-10(9)17-2/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)
InChIKeyUSZSNTXGHDNOGZ-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.07
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide

N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide (PubChem CID 106182637) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
PubChem CID106182637
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
SMILESCOCC(CCl)NC(=O)c1ccncc1OC
InChIInChI=1S/C11H15ClN2O3/c1-16-7-8(5-12)14-11(15)9-3-4-13-6-10(9)17-2/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)
InChIKeyUSZSNTXGHDNOGZ-UHFFFAOYSA-N
XLogP1.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 105064609
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide
CID 114155070
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide (CID 106182637) is N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide is COCC(CCl)NC(=O)c1ccncc1OC.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide?
The InChIKey is USZSNTXGHDNOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-16-7-8(5-12)14-11(15)9-3-4-13-6-10(9)17-2/h3-4,6,8H,5,7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide?
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide has a molecular weight of 258.70 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 106182637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).