2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

C12H19N3O — CID 81409982

IUPAC2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESCNC(C)(C)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-9(10-5-7-14-8-6-10)15-11(16)12(2,3)13-4/h5-9,13H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyNWXDULQHDLBGBV-VIFPVBQESA-N
MW221.30 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (PubChem CID 81409982) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
PubChem CID81409982
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESCNC(C)(C)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-9(10-5-7-14-8-6-10)15-11(16)12(2,3)13-4/h5-9,13H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyNWXDULQHDLBGBV-VIFPVBQESA-N
XLogP1.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 82110375
3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 81410592
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide
CID 62836024
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 81366459
2-carbamothioyl-2-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 114291939
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (CID 81409982) is 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is CNC(C)(C)C(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is NWXDULQHDLBGBV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(10-5-7-14-8-6-10)15-11(16)12(2,3)13-4/h5-9,13H,1-4H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 81409982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).