3-chloro-N-propan-2-yloxypyridine-4-carboxamide

C9H11ClN2O2 — CID 131031569

IUPAC3-chloro-N-propan-2-yloxypyridine-4-carboxamide
SMILESCC(C)ONC(=O)c1ccncc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(2)14-12-9(13)7-3-4-11-5-8(7)10/h3-6H,1-2H3,(H,12,13)
InChIKeyVCZWZVUSRJFXEV-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.80
Rot. Bonds3

About 3-chloro-N-propan-2-yloxypyridine-4-carboxamide

3-chloro-N-propan-2-yloxypyridine-4-carboxamide (PubChem CID 131031569) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-chloro-N-propan-2-yloxypyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-propan-2-yloxypyridine-4-carboxamide
PubChem CID131031569
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-chloro-N-propan-2-yloxypyridine-4-carboxamide
SMILESCC(C)ONC(=O)c1ccncc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(2)14-12-9(13)7-3-4-11-5-8(7)10/h3-6H,1-2H3,(H,12,13)
InChIKeyVCZWZVUSRJFXEV-UHFFFAOYSA-N
XLogP1.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
methyl 3-chloropyridine-4-carboxylate
CID 15324397
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
2-chloro-N-propan-2-yloxypyridine-3-carboxamide
CID 131020974
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
CID 105117184
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-yloxypyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-propan-2-yloxypyridine-4-carboxamide (CID 131031569) is 3-chloro-N-propan-2-yloxypyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-propan-2-yloxypyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-propan-2-yloxypyridine-4-carboxamide is CC(C)ONC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-propan-2-yloxypyridine-4-carboxamide?
The InChIKey is VCZWZVUSRJFXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(2)14-12-9(13)7-3-4-11-5-8(7)10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-propan-2-yloxypyridine-4-carboxamide?
3-chloro-N-propan-2-yloxypyridine-4-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-yloxypyridine-4-carboxamide is sourced from PubChem (CID 131031569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).