N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide

C13H21N3O — CID 54874161

IUPACN-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(C)NCC(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-10(2)15-9-13(17)16(4)11(3)12-5-7-14-8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyBQTDBFYVJPAKSF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.60
Rot. Bonds5

About N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide

N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 54874161) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID54874161
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(C)NCC(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-10(2)15-9-13(17)16(4)11(3)12-5-7-14-8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyBQTDBFYVJPAKSF-UHFFFAOYSA-N
XLogP1.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950477
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 97327898
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 95585277
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide
CID 119035965

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide (CID 54874161) is N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide is CC(C)NCC(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is BQTDBFYVJPAKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)15-9-13(17)16(4)11(3)12-5-7-14-8-6-12/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide?
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 54874161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).