5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide

C20H20N4O2 — CID 167774657

IUPAC5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide
SMILESCc1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccn(C)n3)nc2)c1
InChIInChI=1S/C20H20N4O2/c1-13-4-3-5-14(10-13)26-15-6-7-18(21-12-15)20(25)22-19-11-16(19)17-8-9-24(2)23-17/h3-10,12,16,19H,11H2,1-2H3,(H,22,25)/t16-,19+/m0/s1
InChIKeyJDDDTESZGTXJIC-QFBILLFUSA-N
MW348.41 g/mol
LogP3.20
Rot. Bonds5

About 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide

5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 167774657) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide
PubChem CID167774657
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide
SMILESCc1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccn(C)n3)nc2)c1
InChIInChI=1S/C20H20N4O2/c1-13-4-3-5-14(10-13)26-15-6-7-18(21-12-15)20(25)22-19-11-16(19)17-8-9-24(2)23-17/h3-10,12,16,19H,11H2,1-2H3,(H,22,25)/t16-,19+/m0/s1
InChIKeyJDDDTESZGTXJIC-QFBILLFUSA-N
XLogP3.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide (CID 167774657) is 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide is Cc1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccn(C)n3)nc2)c1.
What is the InChIKey of 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is JDDDTESZGTXJIC-QFBILLFUSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-3-5-14(10-13)26-15-6-7-18(21-12-15)20(25)22-19-11-16(19)17-8-9-24(2)23-17/h3-10,12,16,19H,11H2,1-2H3,(H,22,25)/t16-,19+/m0/s1.
What are the key properties of 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide?
5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 167774657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).