2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide

C19H21F2N5O2 — CID 155469490

IUPAC2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NC2CCN(CC(F)F)C2)cn1
InChIInChI=1S/C19H21F2N5O2/c20-17(21)11-26-8-7-13(10-26)24-18(27)12-5-6-16(23-9-12)19(28)25-15-4-2-1-3-14(15)22/h1-6,9,13,17H,7-8,10-11,22H2,(H,24,27)(H,25,28)
InChIKeyBEKYPMPYLGMOEP-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.99
Rot. Bonds6

About 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide

2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide (PubChem CID 155469490) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide
PubChem CID155469490
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NC2CCN(CC(F)F)C2)cn1
InChIInChI=1S/C19H21F2N5O2/c20-17(21)11-26-8-7-13(10-26)24-18(27)12-5-6-16(23-9-12)19(28)25-15-4-2-1-3-14(15)22/h1-6,9,13,17H,7-8,10-11,22H2,(H,24,27)(H,25,28)
InChIKeyBEKYPMPYLGMOEP-UHFFFAOYSA-N
XLogP1.99
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide
CID 155469471
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide
CID 10430337
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide
CID 10475062
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
methyl N-[(3S)-1-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 140529230
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide (CID 155469490) is 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide is Nc1ccccc1NC(=O)c1ccc(C(=O)NC2CCN(CC(F)F)C2)cn1.
What is the InChIKey of 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
The InChIKey is BEKYPMPYLGMOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c20-17(21)11-26-8-7-13(10-26)24-18(27)12-5-6-16(23-9-12)19(28)25-15-4-2-1-3-14(15)22/h1-6,9,13,17H,7-8,10-11,22H2,(H,24,27)(H,25,28).
What are the key properties of 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide?
2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide has a molecular weight of 389.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 155469490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).