1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide

C26H30N6O2 — CID 46545515

IUPAC1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C26H30N6O2/c33-24-18-21(19-32(24)23-9-3-7-20-6-1-2-8-22(20)23)25(34)27-12-5-13-30-14-16-31(17-15-30)26-28-10-4-11-29-26/h1-4,6-11,21H,5,12-19H2,(H,27,34)
InChIKeyZALDPXHVJJNBTM-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.31
Rot. Bonds7

About 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide

1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 46545515) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID46545515
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C26H30N6O2/c33-24-18-21(19-32(24)23-9-3-7-20-6-1-2-8-22(20)23)25(34)27-12-5-13-30-14-16-31(17-15-30)26-28-10-4-11-29-26/h1-4,6-11,21H,5,12-19H2,(H,27,34)
InChIKeyZALDPXHVJJNBTM-UHFFFAOYSA-N
XLogP2.31
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 39117461
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 71850076
1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 55933319
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 17392000
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119555623
1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 131917365
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide (CID 46545515) is 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide is O=C(NCCCN1CCN(c2ncccn2)CC1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is ZALDPXHVJJNBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c33-24-18-21(19-32(24)23-9-3-7-20-6-1-2-8-22(20)23)25(34)27-12-5-13-30-14-16-31(17-15-30)26-28-10-4-11-29-26/h1-4,6-11,21H,5,12-19H2,(H,27,34).
What are the key properties of 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46545515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).