2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide

C19H21ClFN5O2 — CID 146147768

IUPAC2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H21ClFN5O2/c1-9(2)26-16(27)7-15(17(26)11-4-5-13(20)14(21)6-11)25-18(28)12-8-23-19(22)24-10(12)3/h4-6,8-9,15,17H,7H2,1-3H3,(H,25,28)(H2,22,23,24)/t15-,17+/m0/s1
InChIKeyNIOOXJXJLFWCHK-DOTOQJQBSA-N
MW405.86 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide

2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 146147768) has the molecular formula C19H21ClFN5O2 and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID146147768
Molecular FormulaC19H21ClFN5O2
Molecular Weight405.86 g/mol
Exact Mass405.14
IUPAC Name2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H21ClFN5O2/c1-9(2)26-16(27)7-15(17(26)11-4-5-13(20)14(21)6-11)25-18(28)12-8-23-19(22)24-10(12)3/h4-6,8-9,15,17H,7H2,1-3H3,(H,25,28)(H2,22,23,24)/t15-,17+/m0/s1
InChIKeyNIOOXJXJLFWCHK-DOTOQJQBSA-N
XLogP2.64
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
CID 95359014
(2S,3R)-2-(4-chloro-3-fluorophenyl)-N-ethoxy-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 97337022
(2S,3S)-2-(4-chloro-3-fluorophenyl)-N-(cyanomethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 97337062
3-[[2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122007828
(2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 97336910
N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide
CID 84592707
2-(4-chloro-3-fluorophenyl)-1-methyl-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154110
6-[[(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 136589228
(2R)-2-amino-N-[2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-yl]propanamide;hydrochloride
CID 120874045
(4S,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 95328761
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 95358867
N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97244433

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide (CID 146147768) is 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is NIOOXJXJLFWCHK-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H21ClFN5O2/c1-9(2)26-16(27)7-15(17(26)11-4-5-13(20)14(21)6-11)25-18(28)12-8-23-19(22)24-10(12)3/h4-6,8-9,15,17H,7H2,1-3H3,(H,25,28)(H2,22,23,24)/t15-,17+/m0/s1.
What are the key properties of 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 405.86 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 146147768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).