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

C29H32N4O3 — CID 91031871

IUPACN-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
SMILESCC(C(=O)Nc1ccc(N2CC(CNC(=O)c3ccc4ccccc4c3)CC2=O)cc1)N1CCCC1
InChIInChI=1S/C29H32N4O3/c1-20(32-14-4-5-15-32)28(35)31-25-10-12-26(13-11-25)33-19-21(16-27(33)34)18-30-29(36)24-9-8-22-6-2-3-7-23(22)17-24/h2-3,6-13,17,20-21H,4-5,14-16,18-19H2,1H3,(H,30,36)(H,31,35)
InChIKeyFKVJDTPZKIHKPZ-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.05
Rot. Bonds7

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

N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide (PubChem CID 91031871) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
PubChem CID91031871
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
SMILESCC(C(=O)Nc1ccc(N2CC(CNC(=O)c3ccc4ccccc4c3)CC2=O)cc1)N1CCCC1
InChIInChI=1S/C29H32N4O3/c1-20(32-14-4-5-15-32)28(35)31-25-10-12-26(13-11-25)33-19-21(16-27(33)34)18-30-29(36)24-9-8-22-6-2-3-7-23(22)17-24/h2-3,6-13,17,20-21H,4-5,14-16,18-19H2,1H3,(H,30,36)(H,31,35)
InChIKeyFKVJDTPZKIHKPZ-UHFFFAOYSA-N
XLogP4.05
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 91159866
N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 18448015
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
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
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
CID 18447622
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987
ethyl 1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46800902

Frequently Asked Questions

What is the IUPAC name of N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide (CID 91031871) is N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide is CC(C(=O)Nc1ccc(N2CC(CNC(=O)c3ccc4ccccc4c3)CC2=O)cc1)N1CCCC1.
What is the InChIKey of N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is FKVJDTPZKIHKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20(32-14-4-5-15-32)28(35)31-25-10-12-26(13-11-25)33-19-21(16-27(33)34)18-30-29(36)24-9-8-22-6-2-3-7-23(22)17-24/h2-3,6-13,17,20-21H,4-5,14-16,18-19H2,1H3,(H,30,36)(H,31,35).
What are the key properties of N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 91031871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).