N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C19H26N4O2 — CID 95617299

IUPACN-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C19H26N4O2/c1-14-5-3-4-6-18(14)25-8-7-21-19(24)16-9-15(10-20-11-16)17-12-22-23(2)13-17/h9-14,18H,3-8H2,1-2H3,(H,21,24)/t14-,18+/m1/s1
InChIKeyOOLSAFUTLUPELP-KDOFPFPSSA-N
MW342.44 g/mol
LogP2.81
Rot. Bonds6

About N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 95617299) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID95617299
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C19H26N4O2/c1-14-5-3-4-6-18(14)25-8-7-21-19(24)16-9-15(10-20-11-16)17-12-22-23(2)13-17/h9-14,18H,3-8H2,1-2H3,(H,21,24)/t14-,18+/m1/s1
InChIKeyOOLSAFUTLUPELP-KDOFPFPSSA-N
XLogP2.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 95617299) is N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is OOLSAFUTLUPELP-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-5-3-4-6-18(14)25-8-7-21-19(24)16-9-15(10-20-11-16)17-12-22-23(2)13-17/h9-14,18H,3-8H2,1-2H3,(H,21,24)/t14-,18+/m1/s1.
What are the key properties of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 95617299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).