N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide

C12H19N3O — CID 115922299

IUPACN,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide
SMILESCc1cncc(NC(C)CC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O/c1-9-5-11(8-13-7-9)14-10(2)6-12(16)15(3)4/h5,7-8,10,14H,6H2,1-4H3
InChIKeyFEJJYKPPVLQACE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds4

About N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide

N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide (PubChem CID 115922299) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide
PubChem CID115922299
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide
SMILESCc1cncc(NC(C)CC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O/c1-9-5-11(8-13-7-9)14-10(2)6-12(16)15(3)4/h5,7-8,10,14H,6H2,1-4H3
InChIKeyFEJJYKPPVLQACE-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetamidopyridine
CID 79978
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
3-phenyl-N-pyridin-3-ylpropanamide
CID 683950
4-[(E)-2-pyridin-3-ylethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
CID 5865796
5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 135323654
2-ethyl-N-(pyridin-3-ylmethyl)butanamide
CID 823658
N-(4-methylpyridin-3-yl)acetamide
CID 20786326
3-Amino-5-methylpyridine
CID 2762894
2,2-dimethyl-N-(pyridin-3-yl)propanamide
CID 4655044
3-[(3-Pyridylmethyl)amino]-5-ethyl-6-methylpyridin-2(1H)-one
CID 454347
2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
CID 156907210
N-(pyridin-3-ylmethyl)ethanediamide
CID 3145117

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide?
The IUPAC name of N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide (CID 115922299) is N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide.
What is the SMILES notation for N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide?
The canonical SMILES for N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide is Cc1cncc(NC(C)CC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide?
The InChIKey is FEJJYKPPVLQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-5-11(8-13-7-9)14-10(2)6-12(16)15(3)4/h5,7-8,10,14H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide?
N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide is sourced from PubChem (CID 115922299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).