2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide

C20H22F3N5O2 — CID 155469471

IUPAC2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCC2CCCN2CC(F)(F)F)cn1
InChIInChI=1S/C20H22F3N5O2/c21-20(22,23)12-28-9-3-4-14(28)11-26-18(29)13-7-8-17(25-10-13)19(30)27-16-6-2-1-5-15(16)24/h1-2,5-8,10,14H,3-4,9,11-12,24H2,(H,26,29)(H,27,30)
InChIKeyDGOHUOWTFJMXAS-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.67
Rot. Bonds6

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

2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide (PubChem CID 155469471) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide
PubChem CID155469471
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCC2CCCN2CC(F)(F)F)cn1
InChIInChI=1S/C20H22F3N5O2/c21-20(22,23)12-28-9-3-4-14(28)11-26-18(29)13-7-8-17(25-10-13)19(30)27-16-6-2-1-5-15(16)24/h1-2,5-8,10,14H,3-4,9,11-12,24H2,(H,26,29)(H,27,30)
InChIKeyDGOHUOWTFJMXAS-UHFFFAOYSA-N
XLogP2.67
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.67
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-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide
CID 10430337
N-[(1-benzylpyrrolidin-2-yl)methyl]-6-formylpyridine-3-carboxamide;2-N-methylbenzene-1,2-diamine
CID 155574543
2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide
CID 155469490
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74246890
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide
CID 10475062

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide (CID 155469471) is 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide is Nc1ccccc1NC(=O)c1ccc(C(=O)NCC2CCCN2CC(F)(F)F)cn1.
What is the InChIKey of 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide?
The InChIKey is DGOHUOWTFJMXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c21-20(22,23)12-28-9-3-4-14(28)11-26-18(29)13-7-8-17(25-10-13)19(30)27-16-6-2-1-5-15(16)24/h1-2,5-8,10,14H,3-4,9,11-12,24H2,(H,26,29)(H,27,30).
What are the key properties of 2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide?
2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide has a molecular weight of 421.42 g/mol, XLogP of 2.67, 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-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 155469471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).