3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide

C20H23ClN4O2 — CID 127047343

IUPAC3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide
SMILESCC(C)CC1CC(=O)N(c2ccc(NC(=O)c3ncccc3N)cc2Cl)C1
InChIInChI=1S/C20H23ClN4O2/c1-12(2)8-13-9-18(26)25(11-13)17-6-5-14(10-15(17)21)24-20(27)19-16(22)4-3-7-23-19/h3-7,10,12-13H,8-9,11,22H2,1-2H3,(H,24,27)
InChIKeyWQSLMUFBNLLTHV-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.97
Rot. Bonds5

About 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide

3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide (PubChem CID 127047343) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide
PubChem CID127047343
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide
SMILESCC(C)CC1CC(=O)N(c2ccc(NC(=O)c3ncccc3N)cc2Cl)C1
InChIInChI=1S/C20H23ClN4O2/c1-12(2)8-13-9-18(26)25(11-13)17-6-5-14(10-15(17)21)24-20(27)19-16(22)4-3-7-23-19/h3-7,10,12-13H,8-9,11,22H2,1-2H3,(H,24,27)
InChIKeyWQSLMUFBNLLTHV-UHFFFAOYSA-N
XLogP3.97
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide (CID 127047343) is 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide is CC(C)CC1CC(=O)N(c2ccc(NC(=O)c3ncccc3N)cc2Cl)C1.
What is the InChIKey of 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is WQSLMUFBNLLTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-12(2)8-13-9-18(26)25(11-13)17-6-5-14(10-15(17)21)24-20(27)19-16(22)4-3-7-23-19/h3-7,10,12-13H,8-9,11,22H2,1-2H3,(H,24,27).
What are the key properties of 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127047343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).