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

C19H24N6O3 — CID 109103614

IUPACN-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H24N6O3/c1-28-11-3-6-21-17(26)15-12-16(14-20-13-15)18(27)24-7-9-25(10-8-24)19-22-4-2-5-23-19/h2,4-5,12-14H,3,6-11H2,1H3,(H,21,26)
InChIKeyUSZAFAONGSCADP-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.60
Rot. Bonds7

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

N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109103614) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109103614
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H24N6O3/c1-28-11-3-6-21-17(26)15-12-16(14-20-13-15)18(27)24-7-9-25(10-8-24)19-22-4-2-5-23-19/h2,4-5,12-14H,3,6-11H2,1H3,(H,21,26)
InChIKeyUSZAFAONGSCADP-UHFFFAOYSA-N
XLogP0.60
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
[6-(3-methoxypropylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109153147
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103395
N-(3-methoxypropyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943296
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109103429
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
N-(3-methoxypropyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174450

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109103614) is N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is USZAFAONGSCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-28-11-3-6-21-17(26)15-12-16(14-20-13-15)18(27)24-7-9-25(10-8-24)19-22-4-2-5-23-19/h2,4-5,12-14H,3,6-11H2,1H3,(H,21,26).
What are the key properties of N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).