4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide

C25H28FN5O2 — CID 56969798

IUPAC4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(OCCN3CCCC3)c2)cc1NCc1ccccc1F
InChIInChI=1S/C25H28FN5O2/c26-22-9-2-1-6-18(22)16-28-23-15-24(29-17-21(23)25(27)32)30-19-7-5-8-20(14-19)33-13-12-31-10-3-4-11-31/h1-2,5-9,14-15,17H,3-4,10-13,16H2,(H2,27,32)(H2,28,29,30)
InChIKeyPOLGUGZTWXABLW-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.15
Rot. Bonds10

About 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide

4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide (PubChem CID 56969798) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
PubChem CID56969798
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(OCCN3CCCC3)c2)cc1NCc1ccccc1F
InChIInChI=1S/C25H28FN5O2/c26-22-9-2-1-6-18(22)16-28-23-15-24(29-17-21(23)25(27)32)30-19-7-5-8-20(14-19)33-13-12-31-10-3-4-11-31/h1-2,5-9,14-15,17H,3-4,10-13,16H2,(H2,27,32)(H2,28,29,30)
InChIKeyPOLGUGZTWXABLW-UHFFFAOYSA-N
XLogP4.15
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 56970431
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67501703
4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502230
6-[4-[4-(2-cyanoacetyl)piperazin-1-yl]anilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67423885
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide
CID 68759976
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 58098696
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
N-[2-[[5-fluoro-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236357
CID 159420152
CID 159420152
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide (CID 56969798) is 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2cccc(OCCN3CCCC3)c2)cc1NCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide?
The InChIKey is POLGUGZTWXABLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c26-22-9-2-1-6-18(22)16-28-23-15-24(29-17-21(23)25(27)32)30-19-7-5-8-20(14-19)33-13-12-31-10-3-4-11-31/h1-2,5-9,14-15,17H,3-4,10-13,16H2,(H2,27,32)(H2,28,29,30).
What are the key properties of 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide?
4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.15, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 56969798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).