(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide

C27H39N5O2 — CID 166040279

IUPAC(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
SMILESCN(C)CCCNC(=O)C(c1cccnc1)N(C(=O)[C@H]1CCCN1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H39N5O2/c1-27(2,3)21-11-13-22(14-12-21)32(26(34)23-10-7-16-29-23)24(20-9-6-15-28-19-20)25(33)30-17-8-18-31(4)5/h6,9,11-15,19,23-24,29H,7-8,10,16-18H2,1-5H3,(H,30,33)/t23-,24?/m1/s1
InChIKeyCDYPZNFADUVIBR-MIHMCVIASA-N
MW465.64 g/mol
LogP3.27
Rot. Bonds9

About (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide

(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 166040279) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
PubChem CID166040279
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
SMILESCN(C)CCCNC(=O)C(c1cccnc1)N(C(=O)[C@H]1CCCN1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H39N5O2/c1-27(2,3)21-11-13-22(14-12-21)32(26(34)23-10-7-16-29-23)24(20-9-6-15-28-19-20)25(33)30-17-8-18-31(4)5/h6,9,11-15,19,23-24,29H,7-8,10,16-18H2,1-5H3,(H,30,33)/t23-,24?/m1/s1
InChIKeyCDYPZNFADUVIBR-MIHMCVIASA-N
XLogP3.27
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-(3-methoxypropylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894262
N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894331
N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894143
(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040656
(2R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894752
(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 166040275
N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 166041009
N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040473
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]thiomorpholine-3-carboxamide
CID 166040967
(2R)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-oxopyrrolidine-2-carboxamide
CID 166040529
N-(4-tert-butylphenyl)-4-hydroxy-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-4-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156893435
N-(4-tert-butylphenyl)-1-cyano-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156893275

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide (CID 166040279) is (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide is CN(C)CCCNC(=O)C(c1cccnc1)N(C(=O)[C@H]1CCCN1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is CDYPZNFADUVIBR-MIHMCVIASA-N. The full InChI is InChI=1S/C27H39N5O2/c1-27(2,3)21-11-13-22(14-12-21)32(26(34)23-10-7-16-29-23)24(20-9-6-15-28-19-20)25(33)30-17-8-18-31(4)5/h6,9,11-15,19,23-24,29H,7-8,10,16-18H2,1-5H3,(H,30,33)/t23-,24?/m1/s1.
What are the key properties of (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166040279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).