N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide

C18H21BrN4O3 — CID 60548387

IUPACN-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCc1ccco1
InChIInChI=1S/C18H21BrN4O3/c19-14-3-4-16(20-10-14)22-18(25)13-5-7-23(8-6-13)12-17(24)21-11-15-2-1-9-26-15/h1-4,9-10,13H,5-8,11-12H2,(H,21,24)(H,20,22,25)
InChIKeyRRHOSKLFPNAYEL-UHFFFAOYSA-N
MW421.30 g/mol
LogP2.40
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 60548387) has the molecular formula C18H21BrN4O3 and a molecular weight of 421.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID60548387
Molecular FormulaC18H21BrN4O3
Molecular Weight421.30 g/mol
Exact Mass420.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCc1ccco1
InChIInChI=1S/C18H21BrN4O3/c19-14-3-4-16(20-10-14)22-18(25)13-5-7-23(8-6-13)12-17(24)21-11-15-2-1-9-26-15/h1-4,9-10,13H,5-8,11-12H2,(H,21,24)(H,20,22,25)
InChIKeyRRHOSKLFPNAYEL-UHFFFAOYSA-N
XLogP2.40
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
N-(5-bromo-2-pyridinyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 55922689
N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 55923201
1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 60523102
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548261
1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 120847825
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
CID 163345083
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 60548387) is N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCc1ccco1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RRHOSKLFPNAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O3/c19-14-3-4-16(20-10-14)22-18(25)13-5-7-23(8-6-13)12-17(24)21-11-15-2-1-9-26-15/h1-4,9-10,13H,5-8,11-12H2,(H,21,24)(H,20,22,25).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 60548387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).