N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

C26H28FN5O4 — CID 168928337

IUPACN-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCNC(=O)Nc1cc(-c2cc(OCCO)nc(-c3ccnc(NC(=O)C4CC4)c3)c2)c(C)cc1F
InChIInChI=1S/C26H28FN5O4/c1-3-28-26(35)31-22-14-19(15(2)10-20(22)27)18-11-21(30-24(13-18)36-9-8-33)17-6-7-29-23(12-17)32-25(34)16-4-5-16/h6-7,10-14,16,33H,3-5,8-9H2,1-2H3,(H2,28,31,35)(H,29,32,34)
InChIKeyVHYSQVXPGXGACN-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.12
Rot. Bonds9

About N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 168928337) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID168928337
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC NameN-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCNC(=O)Nc1cc(-c2cc(OCCO)nc(-c3ccnc(NC(=O)C4CC4)c3)c2)c(C)cc1F
InChIInChI=1S/C26H28FN5O4/c1-3-28-26(35)31-22-14-19(15(2)10-20(22)27)18-11-21(30-24(13-18)36-9-8-33)17-6-7-29-23(12-17)32-25(34)16-4-5-16/h6-7,10-14,16,33H,3-5,8-9H2,1-2H3,(H2,28,31,35)(H,29,32,34)
InChIKeyVHYSQVXPGXGACN-UHFFFAOYSA-N
XLogP4.12
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea
CID 168928664
N-[4-[4-[5-[[(E,2E)-5,5-difluoro-2-[(2Z)-2-fluoroiminoethylidene]pent-3-enoyl]amino]-2-methylphenyl]-6-ethoxy-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 168929359
N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide
CID 168930169
2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
CID 168928786
2-[[4-[4-fluoro-2-methyl-5-(2-oxaspiro[3.3]heptan-6-ylamino)phenyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2-pyridinyl]oxy]ethanol
CID 168928610
1-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-[3-(trifluoromethyl)cyclopentyl]urea
CID 155160638
methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 170384754
N-[5-[2-ethoxy-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;formamide
CID 168929574
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]ethanol
CID 168928493
methyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-[2,4-difluoro-5-(2,2,2-trichloroethoxycarbonylamino)phenyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 170516560
(3S)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155144936
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930438

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (CID 168928337) is N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is CCNC(=O)Nc1cc(-c2cc(OCCO)nc(-c3ccnc(NC(=O)C4CC4)c3)c2)c(C)cc1F.
What is the InChIKey of N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is VHYSQVXPGXGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-3-28-26(35)31-22-14-19(15(2)10-20(22)27)18-11-21(30-24(13-18)36-9-8-33)17-6-7-29-23(12-17)32-25(34)16-4-5-16/h6-7,10-14,16,33H,3-5,8-9H2,1-2H3,(H2,28,31,35)(H,29,32,34).
What are the key properties of N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 493.54 g/mol, XLogP of 4.12, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 168928337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).