2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide

C13H19N3O — CID 114956009

IUPAC2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccncc1CNC(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H19N3O/c1-9-5-6-15-7-10(9)8-16-12(17)13(2,14)11-3-4-11/h5-7,11H,3-4,8,14H2,1-2H3,(H,16,17)
InChIKeyLCDXYGIDCADUEO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide

2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide (PubChem CID 114956009) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
PubChem CID114956009
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccncc1CNC(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H19N3O/c1-9-5-6-15-7-10(9)8-16-12(17)13(2,14)11-3-4-11/h5-7,11H,3-4,8,14H2,1-2H3,(H,16,17)
InChIKeyLCDXYGIDCADUEO-UHFFFAOYSA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54925372
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 114955964
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
3-amino-1-(4-amino-3-pyridinyl)-3-cyclopropylbutan-2-one
CID 116558468
2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879952
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 61044328
ethyl 3,3-dimethyl-2-[(4-methyl-3-pyridinyl)methylcarbamoyl]butanoate
CID 114957287
1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 114955945
N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 114956035
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide (CID 114956009) is 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide is Cc1ccncc1CNC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The InChIKey is LCDXYGIDCADUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-6-15-7-10(9)8-16-12(17)13(2,14)11-3-4-11/h5-7,11H,3-4,8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 114956009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).