(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide

C18H23N3O — CID 51658349

IUPAC(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1cccnc1N(C)C)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-4-16(14-9-6-5-7-10-14)18(22)20-13-15-11-8-12-19-17(15)21(2)3/h5-12,16H,4,13H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyDOIQNGNZPUJFAM-MRXNPFEDSA-N
MW297.40 g/mol
LogP2.96
Rot. Bonds6

About (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide

(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide (PubChem CID 51658349) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
PubChem CID51658349
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1cccnc1N(C)C)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-4-16(14-9-6-5-7-10-14)18(22)20-13-15-11-8-12-19-17(15)21(2)3/h5-12,16H,4,13H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyDOIQNGNZPUJFAM-MRXNPFEDSA-N
XLogP2.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
CID 94775944
1-benzyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076083
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
CID 79524022

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide (CID 51658349) is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCc1cccnc1N(C)C)c1ccccc1.
What is the InChIKey of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide?
The InChIKey is DOIQNGNZPUJFAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-16(14-9-6-5-7-10-14)18(22)20-13-15-11-8-12-19-17(15)21(2)3/h5-12,16H,4,13H2,1-3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide?
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 51658349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).