4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide

C25H30ClN5O4 — CID 174020365

IUPAC4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Oc2cc(C(=O)NCc3ccc(Cl)cc3)ncc2C(=CN)/C=N/CCO)CC1
InChIInChI=1S/C25H30ClN5O4/c1-17(33)31-9-6-21(7-10-31)35-24-12-23(25(34)30-14-18-2-4-20(26)5-3-18)29-16-22(24)19(13-27)15-28-8-11-32/h2-5,12-13,15-16,21,32H,6-11,14,27H2,1H3,(H,30,34)/b19-13?,28-15+
InChIKeyDSQJZLZSEBDTHZ-XGBZDFRFSA-N
MW500.00 g/mol
LogP2.42
Rot. Bonds9

About 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide

4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 174020365) has the molecular formula C25H30ClN5O4 and a molecular weight of 500.00 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
PubChem CID174020365
Molecular FormulaC25H30ClN5O4
Molecular Weight500.00 g/mol
Exact Mass499.20
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Oc2cc(C(=O)NCc3ccc(Cl)cc3)ncc2C(=CN)/C=N/CCO)CC1
InChIInChI=1S/C25H30ClN5O4/c1-17(33)31-9-6-21(7-10-31)35-24-12-23(25(34)30-14-18-2-4-20(26)5-3-18)29-16-22(24)19(13-27)15-28-8-11-32/h2-5,12-13,15-16,21,32H,6-11,14,27H2,1H3,(H,30,34)/b19-13?,28-15+
InChIKeyDSQJZLZSEBDTHZ-XGBZDFRFSA-N
XLogP2.42
TPSA130.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide
CID 167154116
methyl 4-[[5-bromo-2-[(4-chlorophenyl)methylcarbamoyl]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 164564588
2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol
CID 169247301
4-(1-acetylpiperidin-4-yl)oxy-5-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]-1-hydroxy-N-[(4-methylphenyl)methyl]pyridin-1-ium-2-carboxamide
CID 164564445
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(3-hydroxyazetidin-1-yl)pyridine-2-carboxamide
CID 170938810
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-ethynylpyridine-2-carboxamide
CID 170938985
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 170938938
4-[[(8S,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-8-yl]oxy]-5-bromo-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 170938861
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 170939032
4-[[(7S,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 170938834
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 170938966
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 170939030

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide (CID 174020365) is 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide is CC(=O)N1CCC(Oc2cc(C(=O)NCc3ccc(Cl)cc3)ncc2C(=CN)/C=N/CCO)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DSQJZLZSEBDTHZ-XGBZDFRFSA-N. The full InChI is InChI=1S/C25H30ClN5O4/c1-17(33)31-9-6-21(7-10-31)35-24-12-23(25(34)30-14-18-2-4-20(26)5-3-18)29-16-22(24)19(13-27)15-28-8-11-32/h2-5,12-13,15-16,21,32H,6-11,14,27H2,1H3,(H,30,34)/b19-13?,28-15+.
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 174020365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).