N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide

C13H22N4O — CID 501389

IUPACN-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide
SMILESCCCN(CCC)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H22N4O/c1-4-6-17(7-5-2)10-16-13(18)12-9-14-11(3)8-15-12/h8-9H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyIDOHQQPCGWMZMA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.59
Rot. Bonds7

About N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide

N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 501389) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID501389
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide
SMILESCCCN(CCC)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H22N4O/c1-4-6-17(7-5-2)10-16-13(18)12-9-14-11(3)8-15-12/h8-9H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyIDOHQQPCGWMZMA-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide (CID 501389) is N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide is CCCN(CCC)CNC(=O)c1cnc(C)cn1.
What is the InChIKey of N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is IDOHQQPCGWMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-17(7-5-2)10-16-13(18)12-9-14-11(3)8-15-12/h8-9H,4-7,10H2,1-3H3,(H,16,18).
What are the key properties of N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide?
N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipropylamino)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 501389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).