3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide

C26H27N3O2 — CID 41399571

IUPAC3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C26H27N3O2/c1-17-14-21(29-12-4-5-13-29)10-11-23(17)27-26(31)22-15-19-6-2-3-7-20(19)16-24(22)28-25(30)18-8-9-18/h2-3,6-7,10-11,14-16,18H,4-5,8-9,12-13H2,1H3,(H,27,31)(H,28,30)
InChIKeyKTGRUOMNOHSIHO-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.35
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide (PubChem CID 41399571) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
PubChem CID41399571
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C26H27N3O2/c1-17-14-21(29-12-4-5-13-29)10-11-23(17)27-26(31)22-15-19-6-2-3-7-20(19)16-24(22)28-25(30)18-8-9-18/h2-3,6-7,10-11,14-16,18H,4-5,8-9,12-13H2,1H3,(H,27,31)(H,28,30)
InChIKeyKTGRUOMNOHSIHO-UHFFFAOYSA-N
XLogP5.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 26052656
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-nitrobenzamide
CID 42157070
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 134022231
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17482365
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 46689860
3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
CID 47012254
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 106685905
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide (CID 41399571) is 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
The InChIKey is KTGRUOMNOHSIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-14-21(29-12-4-5-13-29)10-11-23(17)27-26(31)22-15-19-6-2-3-7-20(19)16-24(22)28-25(30)18-8-9-18/h2-3,6-7,10-11,14-16,18H,4-5,8-9,12-13H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 41399571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).