2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide

C19H23N3O2 — CID 126474109

IUPAC2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2ccccc2)nc1NCC1CC1
InChIInChI=1S/C19H23N3O2/c1-24-12-11-20-19(23)16-9-10-17(15-5-3-2-4-6-15)22-18(16)21-13-14-7-8-14/h2-6,9-10,14H,7-8,11-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyWAYBCXCIHUUKCI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide

2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide (PubChem CID 126474109) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide
PubChem CID126474109
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2ccccc2)nc1NCC1CC1
InChIInChI=1S/C19H23N3O2/c1-24-12-11-20-19(23)16-9-10-17(15-5-3-2-4-6-15)22-18(16)21-13-14-7-8-14/h2-6,9-10,14H,7-8,11-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyWAYBCXCIHUUKCI-UHFFFAOYSA-N
XLogP2.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide (CID 126474109) is 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide is COCCNC(=O)c1ccc(-c2ccccc2)nc1NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide?
The InChIKey is WAYBCXCIHUUKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-12-11-20-19(23)16-9-10-17(15-5-3-2-4-6-15)22-18(16)21-13-14-7-8-14/h2-6,9-10,14H,7-8,11-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide?
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 126474109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).