N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide

C22H26N4O3 — CID 109103915

IUPACN-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O3/c27-21(24-16-20-7-4-12-29-20)17-13-18(15-23-14-17)22(28)26-10-8-25(9-11-26)19-5-2-1-3-6-19/h1-3,5-6,13-15,20H,4,7-12,16H2,(H,24,27)
InChIKeyZWQHGFPXTBMKCH-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.95
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109103915) has the molecular formula C22H26N4O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109103915
Molecular FormulaC22H26N4O3
Molecular Weight394.47 g/mol
Exact Mass394.20
IUPAC NameN-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O3/c27-21(24-16-20-7-4-12-29-20)17-13-18(15-23-14-17)22(28)26-10-8-25(9-11-26)19-5-2-1-3-6-19/h1-3,5-6,13-15,20H,4,7-12,16H2,(H,24,27)
InChIKeyZWQHGFPXTBMKCH-UHFFFAOYSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109103915) is N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is ZWQHGFPXTBMKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(24-16-20-7-4-12-29-20)17-13-18(15-23-14-17)22(28)26-10-8-25(9-11-26)19-5-2-1-3-6-19/h1-3,5-6,13-15,20H,4,7-12,16H2,(H,24,27).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).