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

C20H24N6O3 — CID 109103923

IUPACN-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H24N6O3/c27-18(24-14-17-3-1-10-29-17)15-11-16(13-21-12-15)19(28)25-6-8-26(9-7-25)20-22-4-2-5-23-20/h2,4-5,11-13,17H,1,3,6-10,14H2,(H,24,27)
InChIKeyTZISIPNFLQRFHL-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.74
Rot. Bonds5

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

N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109103923) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109103923
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H24N6O3/c27-18(24-14-17-3-1-10-29-17)15-11-16(13-21-12-15)19(28)25-6-8-26(9-7-25)20-22-4-2-5-23-20/h2,4-5,11-13,17H,1,3,6-10,14H2,(H,24,27)
InChIKeyTZISIPNFLQRFHL-UHFFFAOYSA-N
XLogP0.74
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103614
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 54302049
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109103923) is N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is TZISIPNFLQRFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c27-18(24-14-17-3-1-10-29-17)15-11-16(13-21-12-15)19(28)25-6-8-26(9-7-25)20-22-4-2-5-23-20/h2,4-5,11-13,17H,1,3,6-10,14H2,(H,24,27).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).