N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide

C12H20N4O — CID 81236873

IUPACN-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCN(C)C
InChIInChI=1S/C12H20N4O/c1-4-14-11-5-6-13-9-10(11)12(17)15-7-8-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyWGLJEDFTMRAXMN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81236873) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81236873
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCN(C)C
InChIInChI=1S/C12H20N4O/c1-4-14-11-5-6-13-9-10(11)12(17)15-7-8-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyWGLJEDFTMRAXMN-UHFFFAOYSA-N
XLogP0.80
TPSA57.26 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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
3-(ethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-4-carboxamide
CID 105069888
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 106050398

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide (CID 81236873) is N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is WGLJEDFTMRAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-14-11-5-6-13-9-10(11)12(17)15-7-8-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81236873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).