3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

C23H22F3N5O3 — CID 90075788

IUPAC3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22F3N5O3/c1-11-9-31(10-18(32)22(11)33)17-5-6-28-8-16(17)29-23(34)21-15(27)7-14(26)20(30-21)19-12(24)3-2-4-13(19)25/h2-8,11,18,22,32-33H,9-10,27H2,1H3,(H,29,34)/t11-,18+,22+/m0/s1
InChIKeyYQPCVQHBXOAQSB-MJAOXLJMSA-N
MW473.46 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 90075788) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID90075788
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22F3N5O3/c1-11-9-31(10-18(32)22(11)33)17-5-6-28-8-16(17)29-23(34)21-15(27)7-14(26)20(30-21)19-12(24)3-2-4-13(19)25/h2-8,11,18,22,32-33H,9-10,27H2,1H3,(H,29,34)/t11-,18+,22+/m0/s1
InChIKeyYQPCVQHBXOAQSB-MJAOXLJMSA-N
XLogP2.57
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 90075788) is 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](O)[C@@H]1O.
What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is YQPCVQHBXOAQSB-MJAOXLJMSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-11-9-31(10-18(32)22(11)33)17-5-6-28-8-16(17)29-23(34)21-15(27)7-14(26)20(30-21)19-12(24)3-2-4-13(19)25/h2-8,11,18,22,32-33H,9-10,27H2,1H3,(H,29,34)/t11-,18+,22+/m0/s1.
What are the key properties of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 90075788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).