3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one

C15H22N2O — CID 71084396

IUPAC3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one
SMILESCC(C)(C)C1C[C@H]1C(=O)CCc1ccc(N)nc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-8-11(12)13(18)6-4-10-5-7-14(16)17-9-10/h5,7,9,11-12H,4,6,8H2,1-3H3,(H2,16,17)/t11-,12?/m1/s1
InChIKeyGQUJHMJGNFAQOG-JHJMLUEUSA-N
MW246.35 g/mol
LogP2.85
Rot. Bonds4

About 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one

3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one (PubChem CID 71084396) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one
PubChem CID71084396
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one
SMILESCC(C)(C)C1C[C@H]1C(=O)CCc1ccc(N)nc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-8-11(12)13(18)6-4-10-5-7-14(16)17-9-10/h5,7,9,11-12H,4,6,8H2,1-3H3,(H2,16,17)/t11-,12?/m1/s1
InChIKeyGQUJHMJGNFAQOG-JHJMLUEUSA-N
XLogP2.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
3-acetyloxypropyl 5-(6-amino-3-pyridinyl)pentanoate
CID 142208555
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide
CID 167670705
3-(6-amino-3-pyridinyl)-1-[4-[4-[(1-ethylcyclopropyl)-methylamino]-3-fluorophenyl]phenyl]propan-1-one
CID 167569534
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
CID 167655500
4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide
CID 167655548
trans-ethyl (1S,2S)-2-[3-[4-(trifluoromethyl)phenyl]propanoyl]cyclopropane-1-carboxylate
CID 10663053
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
5-[3-(cyclobutylamino)butyl]pyridin-2-amine
CID 69324744
3-(6-amino-3-pyridinyl)-2-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 70039288

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one?
The IUPAC name of 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one (CID 71084396) is 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one is CC(C)(C)C1C[C@H]1C(=O)CCc1ccc(N)nc1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one?
The InChIKey is GQUJHMJGNFAQOG-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)12-8-11(12)13(18)6-4-10-5-7-14(16)17-9-10/h5,7,9,11-12H,4,6,8H2,1-3H3,(H2,16,17)/t11-,12?/m1/s1.
What are the key properties of 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one?
3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-1-[(1R)-2-tert-butylcyclopropyl]propan-1-one is sourced from PubChem (CID 71084396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).