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

C13H19N3O — CID 114700236

IUPAC3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
SMILESCc1cnccc1CNC(=O)CC(N)C1CC1
InChIInChI=1S/C13H19N3O/c1-9-7-15-5-4-11(9)8-16-13(17)6-12(14)10-2-3-10/h4-5,7,10,12H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyYNAWRRVFYHLXDP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.13
Rot. Bonds5

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

3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide (PubChem CID 114700236) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
PubChem CID114700236
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
SMILESCc1cnccc1CNC(=O)CC(N)C1CC1
InChIInChI=1S/C13H19N3O/c1-9-7-15-5-4-11(9)8-16-13(17)6-12(14)10-2-3-10/h4-5,7,10,12H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyYNAWRRVFYHLXDP-UHFFFAOYSA-N
XLogP1.13
TPSA68.01 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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91781720

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide (CID 114700236) is 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide is Cc1cnccc1CNC(=O)CC(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
The InChIKey is YNAWRRVFYHLXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-15-5-4-11(9)8-16-13(17)6-12(14)10-2-3-10/h4-5,7,10,12H,2-3,6,8,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 114700236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).