1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C13H19N3O2 — CID 65464946

IUPAC1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)C1(N)CC1
InChIInChI=1S/C13H19N3O2/c1-9(2)18-11-10(4-3-7-15-11)8-16-12(17)13(14)5-6-13/h3-4,7,9H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeySNDWFGRPVAPMEI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds5

About 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 65464946) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID65464946
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)C1(N)CC1
InChIInChI=1S/C13H19N3O2/c1-9(2)18-11-10(4-3-7-15-11)8-16-12(17)13(14)5-6-13/h3-4,7,9H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeySNDWFGRPVAPMEI-UHFFFAOYSA-N
XLogP0.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide
CID 104908222
2-(3-methylazetidin-3-yl)oxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 102656075
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061
5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55739146
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 65464946) is 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is CC(C)Oc1ncccc1CNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is SNDWFGRPVAPMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)18-11-10(4-3-7-15-11)8-16-12(17)13(14)5-6-13/h3-4,7,9H,5-6,8,14H2,1-2H3,(H,16,17).
What are the key properties of 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65464946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).