5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide

C13H23N5O — CID 106039561

IUPAC5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
SMILESCC(C)N(C)CCCNc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H23N5O/c1-9(2)18(3)6-4-5-16-12-7-10(13(15)19)11(14)8-17-12/h7-9H,4-6,14H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyGXKIPVYFSMEXGQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.90
Rot. Bonds7

About 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide

5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide (PubChem CID 106039561) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
PubChem CID106039561
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
SMILESCC(C)N(C)CCCNc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H23N5O/c1-9(2)18(3)6-4-5-16-12-7-10(13(15)19)11(14)8-17-12/h7-9H,4-6,14H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyGXKIPVYFSMEXGQ-UHFFFAOYSA-N
XLogP0.90
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-4-carboxamide
CID 106341882
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
CID 114167701
N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048487
3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide
CID 115934739
5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide
CID 114090567
4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80816494
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
5-amino-2-[(4-methylcyclohexyl)methylamino]pyridine-4-carboxamide
CID 114090347
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide (CID 106039561) is 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide is CC(C)N(C)CCCNc1cc(C(N)=O)c(N)cn1.
What is the InChIKey of 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide?
The InChIKey is GXKIPVYFSMEXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)18(3)6-4-5-16-12-7-10(13(15)19)11(14)8-17-12/h7-9H,4-6,14H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide?
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide is sourced from PubChem (CID 106039561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).