4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide

C16H26N4O — CID 79311218

IUPAC4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)N(C)CC2CCCN2CC)c1
InChIInChI=1S/C16H26N4O/c1-4-17-13-8-9-18-15(11-13)16(21)19(3)12-14-7-6-10-20(14)5-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,17,18)
InChIKeyXNLRMVVRAOLJIE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds6

About 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide

4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 79311218) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID79311218
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)N(C)CC2CCCN2CC)c1
InChIInChI=1S/C16H26N4O/c1-4-17-13-8-9-18-15(11-13)16(21)19(3)12-14-7-6-10-20(14)5-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,17,18)
InChIKeyXNLRMVVRAOLJIE-UHFFFAOYSA-N
XLogP2.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 103890012
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)-N-methylpyridine-2-carboxamide
CID 63685756
[4-(dimethylamino)piperidin-1-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 62169404
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 62178128
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 136511984
[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63604449
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501971
4-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180747
N-(cyclohexylmethyl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55047491

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide (CID 79311218) is 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide is CCNc1ccnc(C(=O)N(C)CC2CCCN2CC)c1.
What is the InChIKey of 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is XNLRMVVRAOLJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-17-13-8-9-18-15(11-13)16(21)19(3)12-14-7-6-10-20(14)5-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,17,18).
What are the key properties of 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide?
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 79311218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).