4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide

C26H28ClN5O3 — CID 69351524

IUPAC4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide
SMILESNCCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCCNC2)c1
InChIInChI=1S/C26H28ClN5O3/c27-18-8-10-24(30-15-18)32-25(33)20-5-1-2-6-22(20)31-26(34)21-9-7-17(11-12-28)14-23(21)35-19-4-3-13-29-16-19/h1-2,5-10,14-15,19,29H,3-4,11-13,16,28H2,(H,31,34)(H,30,32,33)
InChIKeyYNTNWNTXDKXEOE-UHFFFAOYSA-N
MW494.00 g/mol
LogP3.87
Rot. Bonds8

About 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide

4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide (PubChem CID 69351524) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide
PubChem CID69351524
Molecular FormulaC26H28ClN5O3
Molecular Weight494.00 g/mol
Exact Mass493.19
IUPAC Name4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide
SMILESNCCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCCNC2)c1
InChIInChI=1S/C26H28ClN5O3/c27-18-8-10-24(30-15-18)32-25(33)20-5-1-2-6-22(20)31-26(34)21-9-7-17(11-12-28)14-23(21)35-19-4-3-13-29-16-19/h1-2,5-10,14-15,19,29H,3-4,11-13,16,28H2,(H,31,34)(H,30,32,33)
InChIKeyYNTNWNTXDKXEOE-UHFFFAOYSA-N
XLogP3.87
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-[[2-(piperidin-3-ylmethoxy)-4-propan-2-ylbenzoyl]amino]pyridine-2-carboxamide;hydrochloride
CID 68836303
N-(5-chloro-2-pyridinyl)-3-[(4-methylsulfanyl-2-piperidin-4-yloxybenzoyl)amino]pyridine-2-carboxamide
CID 11620252
tert-butyl 4-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]-5-phenylmethoxyphenoxy]piperidine-1-carboxylate
CID 68532666
4-tert-butyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-[(4R)-3,3-dimethylpiperidin-4-yl]oxybenzamide;2,2,2-trifluoroacetic acid
CID 159299254
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-(piperidin-3-ylmethoxy)-4-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 68570681
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 75469998
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 52867425
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
1-(5-chloro-2-pyridinyl)-3-[4-(2-pyrrolidin-3-ylethyl)phenyl]urea
CID 53250440
N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 69350924
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
CID 142082926
2-(4-piperidin-3-yloxyphenyl)ethanamine
CID 165357730

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide (CID 69351524) is 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide is NCCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCCNC2)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide?
The InChIKey is YNTNWNTXDKXEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3/c27-18-8-10-24(30-15-18)32-25(33)20-5-1-2-6-22(20)31-26(34)21-9-7-17(11-12-28)14-23(21)35-19-4-3-13-29-16-19/h1-2,5-10,14-15,19,29H,3-4,11-13,16,28H2,(H,31,34)(H,30,32,33).
What are the key properties of 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide?
4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide has a molecular weight of 494.00 g/mol, XLogP of 3.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-3-yloxybenzamide is sourced from PubChem (CID 69351524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).