N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C26H24ClN5O3 — CID 10289015

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1oc2ccccc2c1NC(=O)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C26H24ClN5O3/c27-19-5-6-22(29-15-19)30-26(34)24-23(20-3-1-2-4-21(20)35-24)31-25(33)18-9-13-32(14-10-18)16-17-7-11-28-12-8-17/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,31,33)(H,29,30,34)
InChIKeyHKUFLHNREODJIU-UHFFFAOYSA-N
MW489.96 g/mol
LogP4.98
Rot. Bonds6

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 10289015) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID10289015
Molecular FormulaC26H24ClN5O3
Molecular Weight489.96 g/mol
Exact Mass489.16
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1oc2ccccc2c1NC(=O)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C26H24ClN5O3/c27-19-5-6-22(29-15-19)30-26(34)24-23(20-3-1-2-4-21(20)35-24)31-25(33)18-9-13-32(14-10-18)16-17-7-11-28-12-8-17/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,31,33)(H,29,30,34)
InChIKeyHKUFLHNREODJIU-UHFFFAOYSA-N
XLogP4.98
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]piperidine-4-carboxamide
CID 23062699
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 20598018
3-amino-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride
CID 161193935
3-[[4-[acetyl(propan-2-yl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 23062669
2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]-1-benzofuran-5-carboxylic acid
CID 10239489
N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
CID 142811992
tert-butyl 2-[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]carbamoyl]cyclohexyl]-methylamino]acetate;2-[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]carbamoyl]cyclohexyl]-methylamino]acetic acid;dihydrochloride
CID 158398433
N-(5-chloro-2-pyridinyl)-3-[[4-(methylamino)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;trihydrochloride
CID 23088716
5-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;dihydrochloride
CID 23062731
N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide
CID 87021618
5-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 23062550
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 10289015) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)c1oc2ccccc2c1NC(=O)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HKUFLHNREODJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c27-19-5-6-22(29-15-19)30-26(34)24-23(20-3-1-2-4-21(20)35-24)31-25(33)18-9-13-32(14-10-18)16-17-7-11-28-12-8-17/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,31,33)(H,29,30,34).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 10289015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).