2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide

C16H30N6O2 — CID 70431193

IUPAC2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide
SMILESCCC(NC(=O)c1c(N)cc(=O)n(C(CC)N(C)C)c1N)N(C)C
InChIInChI=1S/C16H30N6O2/c1-7-11(20(3)4)19-16(24)14-10(17)9-13(23)22(15(14)18)12(8-2)21(5)6/h9,11-12H,7-8,17-18H2,1-6H3,(H,19,24)
InChIKeyBPPHWCQINOFSNA-UHFFFAOYSA-N
MW338.46 g/mol
LogP0.51
Rot. Bonds7

About 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide

2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide (PubChem CID 70431193) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide
PubChem CID70431193
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC Name2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide
SMILESCCC(NC(=O)c1c(N)cc(=O)n(C(CC)N(C)C)c1N)N(C)C
InChIInChI=1S/C16H30N6O2/c1-7-11(20(3)4)19-16(24)14-10(17)9-13(23)22(15(14)18)12(8-2)21(5)6/h9,11-12H,7-8,17-18H2,1-6H3,(H,19,24)
InChIKeyBPPHWCQINOFSNA-UHFFFAOYSA-N
XLogP0.51
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide (CID 70431193) is 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide is CCC(NC(=O)c1c(N)cc(=O)n(C(CC)N(C)C)c1N)N(C)C.
What is the InChIKey of 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide?
The InChIKey is BPPHWCQINOFSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O2/c1-7-11(20(3)4)19-16(24)14-10(17)9-13(23)22(15(14)18)12(8-2)21(5)6/h9,11-12H,7-8,17-18H2,1-6H3,(H,19,24).
What are the key properties of 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide?
2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 70431193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).