N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide

C10H13ClN2O — CID 58398271

IUPACN-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-10(2,3)9(14)13-7-4-5-12-8(11)6-7/h4-6H,1-3H3,(H,12,13,14)
InChIKeyDIZKRKCCZMNDRQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.72
Rot. Bonds1

About N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide

N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 58398271) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
PubChem CID58398271
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-10(2,3)9(14)13-7-4-5-12-8(11)6-7/h4-6H,1-3H3,(H,12,13,14)
InChIKeyDIZKRKCCZMNDRQ-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide
CID 101130382
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
CID 14625226
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine
CID 130643026
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
CID 134101188
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
3-(2-chloro-4-pyridinyl)-1-methyl-1-phenylurea
CID 134114152
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide (CID 58398271) is N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is DIZKRKCCZMNDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-10(2,3)9(14)13-7-4-5-12-8(11)6-7/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide?
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 212.68 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 58398271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).