6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide

C12H20N4O — CID 79830819

IUPAC6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
SMILESCC(C)N(C)CCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H20N4O/c1-9(2)16(3)7-6-14-11-5-4-10(8-15-11)12(13)17/h4-5,8-9H,6-7H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyOWBUZYVCNHORBP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds6

About 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide

6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide (PubChem CID 79830819) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
PubChem CID79830819
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
SMILESCC(C)N(C)CCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H20N4O/c1-9(2)16(3)7-6-14-11-5-4-10(8-15-11)12(13)17/h4-5,8-9H,6-7H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyOWBUZYVCNHORBP-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
6-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-3-carboxamide
CID 113252356
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
CID 115631413
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280

Frequently Asked Questions

What is the IUPAC name of 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide (CID 79830819) is 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide is CC(C)N(C)CCNc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide?
The InChIKey is OWBUZYVCNHORBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16(3)7-6-14-11-5-4-10(8-15-11)12(13)17/h4-5,8-9H,6-7H2,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide?
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 79830819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).