N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide

C30H33N3O2 — CID 18448015

IUPACN-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CC(=O)N(c2ccc(C3(CN4CCCC4)CC3)cc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C30H33N3O2/c34-28-17-22(19-31-29(35)25-8-7-23-5-1-2-6-24(23)18-25)20-33(28)27-11-9-26(10-12-27)30(13-14-30)21-32-15-3-4-16-32/h1-2,5-12,18,22H,3-4,13-17,19-21H2,(H,31,35)
InChIKeyCADQGNFQEIDAKD-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.75
Rot. Bonds7

About N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide

N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide (PubChem CID 18448015) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
PubChem CID18448015
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC NameN-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CC(=O)N(c2ccc(C3(CN4CCCC4)CC3)cc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C30H33N3O2/c34-28-17-22(19-31-29(35)25-8-7-23-5-1-2-6-24(23)18-25)20-33(28)27-11-9-26(10-12-27)30(13-14-30)21-32-15-3-4-16-32/h1-2,5-12,18,22H,3-4,13-17,19-21H2,(H,31,35)
InChIKeyCADQGNFQEIDAKD-UHFFFAOYSA-N
XLogP4.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
CID 18447622
3-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]-1,2-benzoxazole-5-carboxamide
CID 18447657
5-chloro-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 18447610
N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 91031871
2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide
CID 18447621
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
CID 11225164
3-(aminomethyl)-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 18447641

Frequently Asked Questions

What is the IUPAC name of N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide (CID 18448015) is N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide is O=C(NCC1CC(=O)N(c2ccc(C3(CN4CCCC4)CC3)cc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is CADQGNFQEIDAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c34-28-17-22(19-31-29(35)25-8-7-23-5-1-2-6-24(23)18-25)20-33(28)27-11-9-26(10-12-27)30(13-14-30)21-32-15-3-4-16-32/h1-2,5-12,18,22H,3-4,13-17,19-21H2,(H,31,35).
What are the key properties of N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18448015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).