N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide

C19H28N6O — CID 98129378

IUPACN-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESCNCC1CCC(c2cc(CN(C)C(=O)c3cnccn3)n(C)n2)CC1
InChIInChI=1S/C19H28N6O/c1-20-11-14-4-6-15(7-5-14)17-10-16(25(3)23-17)13-24(2)19(26)18-12-21-8-9-22-18/h8-10,12,14-15,20H,4-7,11,13H2,1-3H3
InChIKeyOJDQCBNFSIVMIF-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide

N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide (PubChem CID 98129378) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide
PubChem CID98129378
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESCNCC1CCC(c2cc(CN(C)C(=O)c3cnccn3)n(C)n2)CC1
InChIInChI=1S/C19H28N6O/c1-20-11-14-4-6-15(7-5-14)17-10-16(25(3)23-17)13-24(2)19(26)18-12-21-8-9-22-18/h8-10,12,14-15,20H,4-7,11,13H2,1-3H3
InChIKeyOJDQCBNFSIVMIF-UHFFFAOYSA-N
XLogP1.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide (CID 98129378) is N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide is CNCC1CCC(c2cc(CN(C)C(=O)c3cnccn3)n(C)n2)CC1.
What is the InChIKey of N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is OJDQCBNFSIVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-20-11-14-4-6-15(7-5-14)17-10-16(25(3)23-17)13-24(2)19(26)18-12-21-8-9-22-18/h8-10,12,14-15,20H,4-7,11,13H2,1-3H3.
What are the key properties of N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide?
N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 98129378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).