N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide

C12H20N4O — CID 62175314

IUPACN-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCC(C)N(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-9(16(3)4)7-15-12(17)10-5-6-11(13-2)14-8-10/h5-6,8-9H,7H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyYGSQPRCKIGHWTF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide

N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62175314) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID62175314
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCC(C)N(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-9(16(3)4)7-15-12(17)10-5-6-11(13-2)14-8-10/h5-6,8-9H,7H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyYGSQPRCKIGHWTF-UHFFFAOYSA-N
XLogP0.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 64583359
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
CID 126986999
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
N-methyl-6-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168719
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522150
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
2-amino-N-[2-(dimethylamino)propyl]pyridine-4-carboxamide
CID 62161100
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963593

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide (CID 62175314) is N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)NCC(C)N(C)C)cn1.
What is the InChIKey of N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is YGSQPRCKIGHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(16(3)4)7-15-12(17)10-5-6-11(13-2)14-8-10/h5-6,8-9H,7H2,1-4H3,(H,13,14)(H,15,17).
What are the key properties of N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide?
N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62175314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).