N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide

C13H19N3O — CID 95554873

IUPACN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](c1cc(C)ccn1)C1CC1
InChIInChI=1S/C13H19N3O/c1-9-5-6-15-11(7-9)13(10-3-4-10)16-12(17)8-14-2/h5-7,10,13-14H,3-4,8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyFLVPOCHEVMPBHZ-ZDUSSCGKSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds5

About N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide (PubChem CID 95554873) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
PubChem CID95554873
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](c1cc(C)ccn1)C1CC1
InChIInChI=1S/C13H19N3O/c1-9-5-6-15-11(7-9)13(10-3-4-10)16-12(17)8-14-2/h5-7,10,13-14H,3-4,8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyFLVPOCHEVMPBHZ-ZDUSSCGKSA-N
XLogP1.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
CID 125436602
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122565470
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 125442656
2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide
CID 99953701
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 95120246
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 125444561
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122561176
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77085408
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239928
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
1-cyclohexyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63839255
1-cycloheptyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 82932487

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide (CID 95554873) is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide is CNCC(=O)N[C@H](c1cc(C)ccn1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide?
The InChIKey is FLVPOCHEVMPBHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-6-15-11(7-9)13(10-3-4-10)16-12(17)8-14-2/h5-7,10,13-14H,3-4,8H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide?
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 95554873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).