N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide

C13H22N4O — CID 82949517

IUPACN-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NC(C)CN(C)C)n1
InChIInChI=1S/C13H22N4O/c1-5-14-12-8-6-7-11(16-12)13(18)15-10(2)9-17(3)4/h6-8,10H,5,9H2,1-4H3,(H,14,16)(H,15,18)
InChIKeyOKCFQZPOQCDBAC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.19
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide

N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 82949517) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide
PubChem CID82949517
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NC(C)CN(C)C)n1
InChIInChI=1S/C13H22N4O/c1-5-14-12-8-6-7-11(16-12)13(18)15-10(2)9-17(3)4/h6-8,10H,5,9H2,1-4H3,(H,14,16)(H,15,18)
InChIKeyOKCFQZPOQCDBAC-UHFFFAOYSA-N
XLogP1.19
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide (CID 82949517) is N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide is CCNc1cccc(C(=O)NC(C)CN(C)C)n1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is OKCFQZPOQCDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-14-12-8-6-7-11(16-12)13(18)15-10(2)9-17(3)4/h6-8,10H,5,9H2,1-4H3,(H,14,16)(H,15,18).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 82949517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).