N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide

C19H22BrN5O2 — CID 118116913

IUPACN-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCN(c2cccc(Nc3cc(Br)cn(C)c3=O)n2)C1
InChIInChI=1S/C19H22BrN5O2/c1-3-18(26)21-14-6-5-9-25(12-14)17-8-4-7-16(23-17)22-15-10-13(20)11-24(2)19(15)27/h3-4,7-8,10-11,14H,1,5-6,9,12H2,2H3,(H,21,26)(H,22,23)
InChIKeyZXBDIFLNCCOIBA-UHFFFAOYSA-N
MW432.32 g/mol
LogP2.56
Rot. Bonds5

About N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide

N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide (PubChem CID 118116913) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide
PubChem CID118116913
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC NameN-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCN(c2cccc(Nc3cc(Br)cn(C)c3=O)n2)C1
InChIInChI=1S/C19H22BrN5O2/c1-3-18(26)21-14-6-5-9-25(12-14)17-8-4-7-16(23-17)22-15-10-13(20)11-24(2)19(15)27/h3-4,7-8,10-11,14H,1,5-6,9,12H2,2H3,(H,21,26)(H,22,23)
InChIKeyZXBDIFLNCCOIBA-UHFFFAOYSA-N
XLogP2.56
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

[4-fluoro-2-[1-methyl-6-oxo-5-[[6-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]-2-pyridinyl]amino]-3-pyridinyl]-6-(4-oxo-6,7,8,9-tetrahydro-[1]benzothiolo[2,3-d]pyridazin-3-yl)phenyl]methyl acetate
CID 118116658
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 58043923
2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118039077
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359
N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 138631731
N-[1-[5-[(1,5-dimethylpyrazol-3-yl)amino]-1-methyl-6-oxopyridazin-3-yl]piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 77290114
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431
N-[1-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]piperidin-3-yl]prop-2-enamide
CID 169232683
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
CID 110107173
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
5-bromo-1-methyl-3-[[5-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 86683713

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide (CID 118116913) is N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide is C=CC(=O)NC1CCCN(c2cccc(Nc3cc(Br)cn(C)c3=O)n2)C1.
What is the InChIKey of N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide?
The InChIKey is ZXBDIFLNCCOIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c1-3-18(26)21-14-6-5-9-25(12-14)17-8-4-7-16(23-17)22-15-10-13(20)11-24(2)19(15)27/h3-4,7-8,10-11,14H,1,5-6,9,12H2,2H3,(H,21,26)(H,22,23).
What are the key properties of N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide?
N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide has a molecular weight of 432.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 118116913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).