2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide

C11H15ClN2O2 — CID 51891752

IUPAC2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-16-3)14(2)11(15)9-4-5-13-10(12)6-9/h4-6,8H,7H2,1-3H3/t8-/m0/s1
InChIKeyCCOBKXHFYORGNL-QMMMGPOBSA-N
MW242.71 g/mol
LogP1.84
Rot. Bonds4

About 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide

2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide (PubChem CID 51891752) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
PubChem CID51891752
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-16-3)14(2)11(15)9-4-5-13-10(12)6-9/h4-6,8H,7H2,1-3H3/t8-/m0/s1
InChIKeyCCOBKXHFYORGNL-QMMMGPOBSA-N
XLogP1.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 62180314
1-(2-chloro-4-pyridinyl)-2,2-diethoxyethanone
CID 162417624
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
CID 24723737
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 113224184
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide (CID 51891752) is 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide is COC[C@H](C)N(C)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide?
The InChIKey is CCOBKXHFYORGNL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(7-16-3)14(2)11(15)9-4-5-13-10(12)6-9/h4-6,8H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide?
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 51891752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).