(1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide

C12H15Cl2N3O — CID 94218590

IUPAC(1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)nc1
InChIInChI=1S/C12H15Cl2N3O/c1-11(7-12(11,13)14)10(18)16-9-5-4-8(6-15-9)17(2)3/h4-6H,7H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyUSKLYPRMOMSRKZ-NSHDSACASA-N
MW288.18 g/mol
LogP2.67
Rot. Bonds3

About (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 94218590) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide
PubChem CID94218590
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name(1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)nc1
InChIInChI=1S/C12H15Cl2N3O/c1-11(7-12(11,13)14)10(18)16-9-5-4-8(6-15-9)17(2)3/h4-6H,7H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyUSKLYPRMOMSRKZ-NSHDSACASA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.67
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

(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 94146394
2-amino-N-[5-(dimethylamino)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119863152
1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
CID 126783772
(2R,3R)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95156221
N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
CID 129000728
(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
CID 129400783
1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 99840101
1-acetyl-N-[5-(dimethylamino)-2-pyridinyl]piperidine-2-carboxamide
CID 167862943
(2R,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120940037
N-[5-(dimethylamino)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119863150
(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 96510144
N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119863170

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide (CID 94218590) is (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide is CN(C)c1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)nc1.
What is the InChIKey of (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is USKLYPRMOMSRKZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-11(7-12(11,13)14)10(18)16-9-5-4-8(6-15-9)17(2)3/h4-6H,7H2,1-3H3,(H,15,16,18)/t11-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 288.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94218590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).