2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H23N3O2 — CID 135104976

IUPAC2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(NCCCNC(=O)c2ccc3c(c2)CC(C)O3)nc1
InChIInChI=1S/C19H23N3O2/c1-13-4-7-18(22-12-13)20-8-3-9-21-19(23)15-5-6-17-16(11-15)10-14(2)24-17/h4-7,11-12,14H,3,8-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRADMYOSNGUKIGQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds6

About 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 135104976) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID135104976
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(NCCCNC(=O)c2ccc3c(c2)CC(C)O3)nc1
InChIInChI=1S/C19H23N3O2/c1-13-4-7-18(22-12-13)20-8-3-9-21-19(23)15-5-6-17-16(11-15)10-14(2)24-17/h4-7,11-12,14H,3,8-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRADMYOSNGUKIGQ-UHFFFAOYSA-N
XLogP2.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782559
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809
1-[2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 138029181
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91793022
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
CID 91791359
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
CID 131922621
(5R,7S)-5,7-dimethyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 135104976) is 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1ccc(NCCCNC(=O)c2ccc3c(c2)CC(C)O3)nc1.
What is the InChIKey of 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is RADMYOSNGUKIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-7-18(22-12-13)20-8-3-9-21-19(23)15-5-6-17-16(11-15)10-14(2)24-17/h4-7,11-12,14H,3,8-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 135104976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).