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

C17H22N6O — CID 39539451

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1ccncc1
InChIInChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
InChIKeyDGZNKZXCLRHNMR-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.81
Rot. Bonds6

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

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 39539451) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide
PubChem CID39539451
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1ccncc1
InChIInChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
InChIKeyDGZNKZXCLRHNMR-UHFFFAOYSA-N
XLogP0.81
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Mocetinostat
CID 9865515
Palbociclib
CID 5330286
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
BPKDi
CID 46901383
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
N-(pyrazin-2-yl)pyridine-4-carboxamide
CID 1247097
Palbociclib hydrochloride
CID 11431660
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
6-bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330264

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide (CID 39539451) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide is O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccncc1.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is DGZNKZXCLRHNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24).
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 39539451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).