(1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide

C15H24N4O2 — CID 155500784

IUPAC(1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCc2cnccn2)CC[C@H]1N
InChIInChI=1S/C15H24N4O2/c1-2-7-21-14-8-11(3-4-13(14)16)15(20)19-10-12-9-17-5-6-18-12/h5-6,9,11,13-14H,2-4,7-8,10,16H2,1H3,(H,19,20)/t11-,13+,14+/m0/s1
InChIKeyBCMLUFOVJPGCNZ-IACUBPJLSA-N
MW292.38 g/mol
LogP1.02
Rot. Bonds6

About (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide

(1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 155500784) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID155500784
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCc2cnccn2)CC[C@H]1N
InChIInChI=1S/C15H24N4O2/c1-2-7-21-14-8-11(3-4-13(14)16)15(20)19-10-12-9-17-5-6-18-12/h5-6,9,11,13-14H,2-4,7-8,10,16H2,1H3,(H,19,20)/t11-,13+,14+/m0/s1
InChIKeyBCMLUFOVJPGCNZ-IACUBPJLSA-N
XLogP1.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3S,4S)-4-amino-3-propoxy-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 154818588
(1S,3R,4R)-4-amino-N-[(3,4-dichlorophenyl)methyl]-3-propoxycyclohexane-1-carboxamide;formic acid
CID 155939771
(1S,3R,4R)-4-amino-3-propoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 155940694
acetic acid;(1S,3R,4R)-4-amino-N-[(3,4-difluorophenyl)methyl]-3-propoxycyclohexane-1-carboxamide
CID 155937882
(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 163334574
acetic acid;(1S,3R,4R)-4-amino-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-3-propoxycyclohexane-1-carboxamide
CID 155939621
(1S,3R,4R)-4-amino-N-(3-phenylpropyl)-3-propoxycyclohexane-1-carboxamide
CID 154817706
(1S,3R,4R)-4-amino-3-propoxy-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 163334035
3-[[[(1S,3R,4R)-4-amino-3-propoxycyclohexanecarbonyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 163334296
(1S,3R,4R)-3-amino-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-propoxycyclohexane-1-carboxamide
CID 155503218
(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride
CID 155972383
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide (CID 155500784) is (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide is CCCO[C@@H]1C[C@@H](C(=O)NCc2cnccn2)CC[C@H]1N.
What is the InChIKey of (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is BCMLUFOVJPGCNZ-IACUBPJLSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-7-21-14-8-11(3-4-13(14)16)15(20)19-10-12-9-17-5-6-18-12/h5-6,9,11,13-14H,2-4,7-8,10,16H2,1H3,(H,19,20)/t11-,13+,14+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 155500784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).