N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide

C25H32N4O3 — CID 68738911

IUPACN-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C(=O)N1CCN(c2ccc(C(=O)NCC3CCCO3)cn2)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O3/c1-2-22(19-7-4-3-5-8-19)25(31)29-14-12-28(13-15-29)23-11-10-20(17-26-23)24(30)27-18-21-9-6-16-32-21/h3-5,7-8,10-11,17,21-22H,2,6,9,12-16,18H2,1H3,(H,27,30)
InChIKeyNGGOSNJRNATOQM-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.83
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68738911) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68738911
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C(=O)N1CCN(c2ccc(C(=O)NCC3CCCO3)cn2)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O3/c1-2-22(19-7-4-3-5-8-19)25(31)29-14-12-28(13-15-29)23-11-10-20(17-26-23)24(30)27-18-21-9-6-16-32-21/h3-5,7-8,10-11,17,21-22H,2,6,9,12-16,18H2,1H3,(H,27,30)
InChIKeyNGGOSNJRNATOQM-UHFFFAOYSA-N
XLogP2.83
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740839
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153645
6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 71094905
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740126
N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 18362852
N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 54302049
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 68738911) is N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide is CCC(C(=O)N1CCN(c2ccc(C(=O)NCC3CCCO3)cn2)CC1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NGGOSNJRNATOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-22(19-7-4-3-5-8-19)25(31)29-14-12-28(13-15-29)23-11-10-20(17-26-23)24(30)27-18-21-9-6-16-32-21/h3-5,7-8,10-11,17,21-22H,2,6,9,12-16,18H2,1H3,(H,27,30).
What are the key properties of N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68738911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).