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

C15H26N4O — CID 105068956

IUPACN-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H26N4O/c1-12(2)11-19(9-8-18(4)5)15(20)13-6-7-17-10-14(13)16-3/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyPEJWYAZUWVZYIP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 105068956) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID105068956
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H26N4O/c1-12(2)11-19(9-8-18(4)5)15(20)13-6-7-17-10-14(13)16-3/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyPEJWYAZUWVZYIP-UHFFFAOYSA-N
XLogP1.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032
N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105070225
5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231
N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068839
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(methylamino)pyridine-4-carboxamide
CID 105069561
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (CID 105068956) is N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is CNc1cnccc1C(=O)N(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is PEJWYAZUWVZYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)11-19(9-8-18(4)5)15(20)13-6-7-17-10-14(13)16-3/h6-7,10,12,16H,8-9,11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105068956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).