2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C21H31N3O3 — CID 70816915

IUPAC2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C21H31N3O3/c1-14-12-18(24-8-10-27-11-9-24)23-20(15-6-7-15)19(14)21(26)22-13-16-4-2-3-5-17(16)25/h12,15-17,25H,2-11,13H2,1H3,(H,22,26)/t16-,17+/m0/s1
InChIKeyGYNCQPYGZOWVES-DLBZAZTESA-N
MW373.50 g/mol
LogP2.38
Rot. Bonds5

About 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 70816915) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID70816915
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C21H31N3O3/c1-14-12-18(24-8-10-27-11-9-24)23-20(15-6-7-15)19(14)21(26)22-13-16-4-2-3-5-17(16)25/h12,15-17,25H,2-11,13H2,1H3,(H,22,26)/t16-,17+/m0/s1
InChIKeyGYNCQPYGZOWVES-DLBZAZTESA-N
XLogP2.38
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 70816915) is 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is GYNCQPYGZOWVES-DLBZAZTESA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14-12-18(24-8-10-27-11-9-24)23-20(15-6-7-15)19(14)21(26)22-13-16-4-2-3-5-17(16)25/h12,15-17,25H,2-11,13H2,1H3,(H,22,26)/t16-,17+/m0/s1.
What are the key properties of 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 70816915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).