N-[(dipropylamino)methyl]pyrazine-2-carboxamide

C12H20N4O — CID 501377

IUPACN-[(dipropylamino)methyl]pyrazine-2-carboxamide
SMILESCCCN(CCC)CNC(=O)c1cnccn1
InChIInChI=1S/C12H20N4O/c1-3-7-16(8-4-2)10-15-12(17)11-9-13-5-6-14-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyBCJXXCBKEJUVDM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.29
Rot. Bonds7

About N-[(dipropylamino)methyl]pyrazine-2-carboxamide

N-[(dipropylamino)methyl]pyrazine-2-carboxamide (PubChem CID 501377) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(dipropylamino)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(dipropylamino)methyl]pyrazine-2-carboxamide
PubChem CID501377
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(dipropylamino)methyl]pyrazine-2-carboxamide
SMILESCCCN(CCC)CNC(=O)c1cnccn1
InChIInChI=1S/C12H20N4O/c1-3-7-16(8-4-2)10-15-12(17)11-9-13-5-6-14-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyBCJXXCBKEJUVDM-UHFFFAOYSA-N
XLogP1.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.29
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]pyrazine-2-carboxamide?
The IUPAC name of N-[(dipropylamino)methyl]pyrazine-2-carboxamide (CID 501377) is N-[(dipropylamino)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(dipropylamino)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(dipropylamino)methyl]pyrazine-2-carboxamide is CCCN(CCC)CNC(=O)c1cnccn1.
What is the InChIKey of N-[(dipropylamino)methyl]pyrazine-2-carboxamide?
The InChIKey is BCJXXCBKEJUVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-7-16(8-4-2)10-15-12(17)11-9-13-5-6-14-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-[(dipropylamino)methyl]pyrazine-2-carboxamide?
N-[(dipropylamino)methyl]pyrazine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipropylamino)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 501377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).