N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide

C14H21N3O2 — CID 138035484

IUPACN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NC[C@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C14H21N3O2/c1-10-13(16-6-5-15-10)14(19)17-8-11-3-2-4-12(7-11)9-18/h5-6,11-12,18H,2-4,7-9H2,1H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyIVMYVCJOQLZAQS-NWDGAFQWSA-N
MW263.34 g/mol
LogP1.31
Rot. Bonds4

About N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide

N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide (PubChem CID 138035484) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
PubChem CID138035484
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NC[C@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C14H21N3O2/c1-10-13(16-6-5-15-10)14(19)17-8-11-3-2-4-12(7-11)9-18/h5-6,11-12,18H,2-4,7-9H2,1H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyIVMYVCJOQLZAQS-NWDGAFQWSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(cyclobutylmethyl)pyrazine-2-carboxamide
CID 38654065
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methylurea
CID 130921204
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 126808268
3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 143144334
5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide
CID 126813188
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 163305949
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 126813186
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
CID 11552525

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide (CID 138035484) is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide is Cc1nccnc1C(=O)NC[C@H]1CCC[C@@H](CO)C1.
What is the InChIKey of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide?
The InChIKey is IVMYVCJOQLZAQS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-13(16-6-5-15-10)14(19)17-8-11-3-2-4-12(7-11)9-18/h5-6,11-12,18H,2-4,7-9H2,1H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide?
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 138035484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).