1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone

C25H32N4O3 — CID 158445960

IUPAC1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)CC4CCC(O)CC4)c3)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-28-10-12-29(13-11-28)25(32)19-6-4-18(5-7-19)20-15-22(24(26)27-16-20)23(31)14-17-2-8-21(30)9-3-17/h4-7,15-17,21,30H,2-3,8-14H2,1H3,(H2,26,27)
InChIKeyHDJZJMMCZYWTQL-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone

1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone (PubChem CID 158445960) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone
PubChem CID158445960
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)CC4CCC(O)CC4)c3)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-28-10-12-29(13-11-28)25(32)19-6-4-18(5-7-19)20-15-22(24(26)27-16-20)23(31)14-17-2-8-21(30)9-3-17/h4-7,15-17,21,30H,2-3,8-14H2,1H3,(H2,26,27)
InChIKeyHDJZJMMCZYWTQL-UHFFFAOYSA-N
XLogP2.84
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone with MolForge

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Related Compounds

2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
CID 126675400
[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71455663
[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 10004959
1-[2-amino-5-(2-fluoro-4-piperazin-1-ylphenyl)-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone
CID 162182815
2-amino-N-[(3R)-1-[4-[4-(4-methylpiperazin-1-yl)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 139580481
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
2-amino-5-(1-methylpyrazol-4-yl)-N-[[(3S)-1-(4-phenylbenzoyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 142325457
[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 118286442
2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
CID 160968052
[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 126424652
2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
CID 161221422
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone (CID 158445960) is 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone is CN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)CC4CCC(O)CC4)c3)cc2)CC1.
What is the InChIKey of 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone?
The InChIKey is HDJZJMMCZYWTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-28-10-12-29(13-11-28)25(32)19-6-4-18(5-7-19)20-15-22(24(26)27-16-20)23(31)14-17-2-8-21(30)9-3-17/h4-7,15-17,21,30H,2-3,8-14H2,1H3,(H2,26,27).
What are the key properties of 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone?
1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone has a molecular weight of 436.56 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 158445960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).