4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide

C17H19ClN4O2 — CID 96502326

IUPAC4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESC[C@@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-11(13-6-4-5-7-14(13)18)20-17(24)21-12-8-9-19-15(10-12)16(23)22(2)3/h4-11H,1-3H3,(H2,19,20,21,24)/t11-/m1/s1
InChIKeyPUJYHUUNTVWICD-LLVKDONJSA-N
MW346.82 g/mol
LogP3.32
Rot. Bonds4

About 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide

4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 96502326) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID96502326
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESC[C@@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-11(13-6-4-5-7-14(13)18)20-17(24)21-12-8-9-19-15(10-12)16(23)22(2)3/h4-11H,1-3H3,(H2,19,20,21,24)/t11-/m1/s1
InChIKeyPUJYHUUNTVWICD-LLVKDONJSA-N
XLogP3.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide
CID 96502320
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
N,N-dimethyl-4-(1-pyridin-2-ylethylamino)pyridine-2-carboxamide
CID 43397218
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-N,N-dimethylpyridine-2-carboxamide
CID 75507305
1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea
CID 55699083
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
CID 71897814
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[3-(difluoromethyl)-4-methylsulfonylphenyl]urea
CID 97259057
N,N-dimethyl-4-(1-thiophen-2-ylethylamino)pyridine-2-carboxamide
CID 43402714
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
4-[(2-hydroxy-1-phenylethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63182907

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide (CID 96502326) is 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide is C[C@@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccccc1Cl.
What is the InChIKey of 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is PUJYHUUNTVWICD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11(13-6-4-5-7-14(13)18)20-17(24)21-12-8-9-19-15(10-12)16(23)22(2)3/h4-11H,1-3H3,(H2,19,20,21,24)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 96502326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).