1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide

C23H24ClN7O2 — CID 122314700

IUPAC1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)ncn2)c1
InChIInChI=1S/C23H24ClN7O2/c1-15-6-7-25-20(10-15)30-21-12-19(28-14-29-21)26-8-9-27-23(33)16-11-22(32)31(13-16)18-4-2-17(24)3-5-18/h2-7,10,12,14,16H,8-9,11,13H2,1H3,(H,27,33)(H2,25,26,28,29,30)
InChIKeyVCGZNXBCUDYHEE-UHFFFAOYSA-N
MW465.95 g/mol
LogP3.16
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122314700) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122314700
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)ncn2)c1
InChIInChI=1S/C23H24ClN7O2/c1-15-6-7-25-20(10-15)30-21-12-19(28-14-29-21)26-8-9-27-23(33)16-11-22(32)31(13-16)18-4-2-17(24)3-5-18/h2-7,10,12,14,16H,8-9,11,13H2,1H3,(H,27,33)(H2,25,26,28,29,30)
InChIKeyVCGZNXBCUDYHEE-UHFFFAOYSA-N
XLogP3.16
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122289615
(3S)-1-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 805098
(3S)-1-(4-chlorophenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122291104
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
(3S)-1-(4-fluorophenyl)-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122290847
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189
1-(3,4-dimethylphenyl)-5-oxo-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyrrolidine-3-carboxamide
CID 122308134
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122328699
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 755530
1-(4-fluorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122326857

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 122314700) is 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccnc(Nc2cc(NCCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)ncn2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VCGZNXBCUDYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-15-6-7-25-20(10-15)30-21-12-19(28-14-29-21)26-8-9-27-23(33)16-11-22(32)31(13-16)18-4-2-17(24)3-5-18/h2-7,10,12,14,16H,8-9,11,13H2,1H3,(H,27,33)(H2,25,26,28,29,30).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 465.95 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122314700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).