2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide

C18H24N6O2 — CID 39541853

IUPAC2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H24N6O2/c1-26-17-15(5-2-6-20-17)16(25)19-9-4-10-23-11-13-24(14-12-23)18-21-7-3-8-22-18/h2-3,5-8H,4,9-14H2,1H3,(H,19,25)
InChIKeyZDEFGUDSPJWZAT-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.82
Rot. Bonds7

About 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide

2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 39541853) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID39541853
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H24N6O2/c1-26-17-15(5-2-6-20-17)16(25)19-9-4-10-23-11-13-24(14-12-23)18-21-7-3-8-22-18/h2-3,5-8H,4,9-14H2,1H3,(H,19,25)
InChIKeyZDEFGUDSPJWZAT-UHFFFAOYSA-N
XLogP0.82
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.82
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

2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
2-bromo-5-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539971
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
2-methoxy-5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413812
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide
CID 39541539
5-chloro-2-hydroxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 30830336
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide (CID 39541853) is 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is ZDEFGUDSPJWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-26-17-15(5-2-6-20-17)16(25)19-9-4-10-23-11-13-24(14-12-23)18-21-7-3-8-22-18/h2-3,5-8H,4,9-14H2,1H3,(H,19,25).
What are the key properties of 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 39541853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).