2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid

C24H21N3O4 — CID 169469902

IUPAC2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
SMILESNc1ncc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O
InChIInChI=1S/C24H21N3O4/c25-22-20(23(28)29)12-15(13-27-22)6-5-11-26-24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-10,12-13,21H,11,14H2,(H2,25,27)(H,26,30)(H,28,29)
InChIKeyXYDJIBHCUXLZHP-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.91
Rot. Bonds6

About 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid

2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid (PubChem CID 169469902) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
PubChem CID169469902
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
SMILESNc1ncc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O
InChIInChI=1S/C24H21N3O4/c25-22-20(23(28)29)12-15(13-27-22)6-5-11-26-24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-10,12-13,21H,11,14H2,(H2,25,27)(H,26,30)(H,28,29)
InChIKeyXYDJIBHCUXLZHP-UHFFFAOYSA-N
XLogP3.91
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
CID 169469960
methyl 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
CID 169470192
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
9H-fluoren-9-ylmethyl N-[3-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469299
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-nitrobenzoic acid
CID 169470442
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-(trifluoromethyl)benzoic acid
CID 169470470
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-5-fluorobenzoic acid
CID 169469811
9H-fluoren-9-ylmethyl N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]carbamate
CID 169469327
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid (CID 169469902) is 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid is Nc1ncc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid?
The InChIKey is XYDJIBHCUXLZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c25-22-20(23(28)29)12-15(13-27-22)6-5-11-26-24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-10,12-13,21H,11,14H2,(H2,25,27)(H,26,30)(H,28,29).
What are the key properties of 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid?
2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 169469902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).