N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide

C12H17ClN2O2 — CID 105064609

IUPACN-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
SMILESCCC(CCCl)NC(=O)c1ccncc1OC
InChIInChI=1S/C12H17ClN2O2/c1-3-9(4-6-13)15-12(16)10-5-7-14-8-11(10)17-2/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyKGFMPTNVGMXZKD-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.23
Rot. Bonds6

About N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide

N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide (PubChem CID 105064609) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
PubChem CID105064609
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
SMILESCCC(CCCl)NC(=O)c1ccncc1OC
InChIInChI=1S/C12H17ClN2O2/c1-3-9(4-6-13)15-12(16)10-5-7-14-8-11(10)17-2/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyKGFMPTNVGMXZKD-UHFFFAOYSA-N
XLogP2.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
N-hexan-3-yl-3-hydroxypyridine-4-carboxamide
CID 81442686
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methoxypyridine-4-carboxamide
CID 114010911
(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
2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 105063052
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide (CID 105064609) is N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide is CCC(CCCl)NC(=O)c1ccncc1OC.
What is the InChIKey of N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide?
The InChIKey is KGFMPTNVGMXZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-9(4-6-13)15-12(16)10-5-7-14-8-11(10)17-2/h5,7-9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide?
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).