methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate

C25H22N2O4 — CID 169469992

IUPACmethyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C25H22N2O4/c1-30-24(28)17-12-13-18(27-15-17)7-6-14-26-25(29)31-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-13,15,23H,14,16H2,1H3,(H,26,29)
InChIKeyGHHPHVDFFLZTTN-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.42
Rot. Bonds6

About methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate

methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate (PubChem CID 169469992) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
PubChem CID169469992
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Namemethyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C25H22N2O4/c1-30-24(28)17-12-13-18(27-15-17)7-6-14-26-25(29)31-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-13,15,23H,14,16H2,1H3,(H,26,29)
InChIKeyGHHPHVDFFLZTTN-UHFFFAOYSA-N
XLogP4.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169469003
methyl 4-amino-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169470205
methyl 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
CID 169470192
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169470090
9H-fluoren-9-ylmethyl N-[3-(6-ethoxy-3-pyridinyl)prop-2-enyl]carbamate
CID 169469649
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid
CID 169469291
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469280
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469006
2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
CID 169469960
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate (CID 169469992) is methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate is COC(=O)c1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate?
The InChIKey is GHHPHVDFFLZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-30-24(28)17-12-13-18(27-15-17)7-6-14-26-25(29)31-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-13,15,23H,14,16H2,1H3,(H,26,29).
What are the key properties of methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate?
methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate is sourced from PubChem (CID 169469992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).