ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate

C16H20N6O2 — CID 113029652

IUPACethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C16H20N6O2/c1-2-24-16(23)20-14-5-4-13(12-19-14)21-8-10-22(11-9-21)15-17-6-3-7-18-15/h3-7,12H,2,8-11H2,1H3,(H,19,20,23)
InChIKeyJCCPDRZMROUZJB-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.77
Rot. Bonds4

About ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate

ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate (PubChem CID 113029652) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
PubChem CID113029652
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Nameethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C16H20N6O2/c1-2-24-16(23)20-14-5-4-13(12-19-14)21-8-10-22(11-9-21)15-17-6-3-7-18-15/h3-7,12H,2,8-11H2,1H3,(H,19,20,23)
InChIKeyJCCPDRZMROUZJB-UHFFFAOYSA-N
XLogP1.77
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 82034862
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029329
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
CID 113049859
ethyl 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridine-3-carboxylate
CID 32800686

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate (CID 113029652) is ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate?
The InChIKey is JCCPDRZMROUZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-24-16(23)20-14-5-4-13(12-19-14)21-8-10-22(11-9-21)15-17-6-3-7-18-15/h3-7,12H,2,8-11H2,1H3,(H,19,20,23).
What are the key properties of ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate?
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate has a molecular weight of 328.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 113029652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).