(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide

C12H19N3O — CID 95131612

IUPAC(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
SMILESCNC(=O)C[C@@H](C)N(C)Cc1ccncc1
InChIInChI=1S/C12H19N3O/c1-10(8-12(16)13-2)15(3)9-11-4-6-14-7-5-11/h4-7,10H,8-9H2,1-3H3,(H,13,16)/t10-/m1/s1
InChIKeyPZWHDYIDCRUOLU-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.04
Rot. Bonds5

About (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide

(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide (PubChem CID 95131612) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
PubChem CID95131612
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
SMILESCNC(=O)C[C@@H](C)N(C)Cc1ccncc1
InChIInChI=1S/C12H19N3O/c1-10(8-12(16)13-2)15(3)9-11-4-6-14-7-5-11/h4-7,10H,8-9H2,1-3H3,(H,13,16)/t10-/m1/s1
InChIKeyPZWHDYIDCRUOLU-SNVBAGLBSA-N
XLogP1.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573
3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
CID 56720189
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
CID 91831930
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
CID 99936419
(3R,4R,5S)-4-hydroxy-3-methyl-5-(methylamino)-2-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 90016463
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide?
The IUPAC name of (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide (CID 95131612) is (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide.
What is the SMILES notation for (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide?
The canonical SMILES for (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide is CNC(=O)C[C@@H](C)N(C)Cc1ccncc1.
What is the InChIKey of (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide?
The InChIKey is PZWHDYIDCRUOLU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(8-12(16)13-2)15(3)9-11-4-6-14-7-5-11/h4-7,10H,8-9H2,1-3H3,(H,13,16)/t10-/m1/s1.
What are the key properties of (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide?
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide is sourced from PubChem (CID 95131612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).