1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C19H29BrN4O3 — CID 56509260

IUPAC1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C19H29BrN4O3/c1-14(2)27-11-3-8-21-19(26)15-6-9-24(10-7-15)13-18(25)23-17-5-4-16(20)12-22-17/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyOLLRBCPIOXWATP-UHFFFAOYSA-N
MW441.37 g/mol
LogP2.43
Rot. Bonds9

About 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 56509260) has the molecular formula C19H29BrN4O3 and a molecular weight of 441.37 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID56509260
Molecular FormulaC19H29BrN4O3
Molecular Weight441.37 g/mol
Exact Mass440.14
IUPAC Name1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C19H29BrN4O3/c1-14(2)27-11-3-8-21-19(26)15-6-9-24(10-7-15)13-18(25)23-17-5-4-16(20)12-22-17/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyOLLRBCPIOXWATP-UHFFFAOYSA-N
XLogP2.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
1-(5-bromo-2-pyridinyl)-3-(3-propan-2-yloxypropyl)thiourea
CID 100563839
N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816727
1-(4-bromophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 126235408
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548261
N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
CID 48678587
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 55923201
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-[(4-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924509

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 56509260) is 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is OLLRBCPIOXWATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN4O3/c1-14(2)27-11-3-8-21-19(26)15-6-9-24(10-7-15)13-18(25)23-17-5-4-16(20)12-22-17/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H,21,26)(H,22,23,25).
What are the key properties of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 441.37 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 56509260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).