N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide

C14H17N7O — CID 15954349

IUPACN-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCN1CCN(c2ccncn2)CC1)c1cnccn1
InChIInChI=1S/C14H17N7O/c22-14(12-9-15-3-4-17-12)19-11-20-5-7-21(8-6-20)13-1-2-16-10-18-13/h1-4,9-10H,5-8,11H2,(H,19,22)
InChIKeyMNCMCRJLEBNLGX-UHFFFAOYSA-N
MW299.34 g/mol
LogP-0.22
Rot. Bonds4

About N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide

N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide (PubChem CID 15954349) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
PubChem CID15954349
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCN1CCN(c2ccncn2)CC1)c1cnccn1
InChIInChI=1S/C14H17N7O/c22-14(12-9-15-3-4-17-12)19-11-20-5-7-21(8-6-20)13-1-2-16-10-18-13/h1-4,9-10H,5-8,11H2,(H,19,22)
InChIKeyMNCMCRJLEBNLGX-UHFFFAOYSA-N
XLogP-0.22
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-(pyrimidin-2-ylamino)pyrazine-2-carboxamide
CID 146029521
Pyrazin-2-yl(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234174
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234891
N-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
CID 44410107
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}pyrazine-2-carboxamide
CID 49687691
N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)pyrazine-2-carboxamide
CID 56920499
N-[6-(4-Methylpiperazin-1-YL)pyrimidin-4-YL]pyrazine-2-carboxamide
CID 71794816
N-(6-morpholinopyrimidin-4-yl)pyrazine-2-carboxamide
CID 71794856
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}pyrazine-2-carboxamide
CID 91892426
(4-(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)(pyrazin-2-yl)methanone
CID 121090342
N-(2-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}ethyl)pyrazine-2-carboxamide
CID 49676093
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 91923130

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide (CID 15954349) is N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide is O=C(NCN1CCN(c2ccncn2)CC1)c1cnccn1.
What is the InChIKey of N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is MNCMCRJLEBNLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c22-14(12-9-15-3-4-17-12)19-11-20-5-7-21(8-6-20)13-1-2-16-10-18-13/h1-4,9-10H,5-8,11H2,(H,19,22).
What are the key properties of N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 299.34 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 15954349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).