4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide

C16H23N3O — CID 43517740

IUPAC4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)C2CC3CCC2C3)ccn1
InChIInChI=1S/C16H23N3O/c1-10(14-8-11-3-4-12(14)7-11)19-13-5-6-18-15(9-13)16(20)17-2/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPOHQSCBNIPCBBC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds4

About 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide

4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide (PubChem CID 43517740) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
PubChem CID43517740
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)C2CC3CCC2C3)ccn1
InChIInChI=1S/C16H23N3O/c1-10(14-8-11-3-4-12(14)7-11)19-13-5-6-18-15(9-13)16(20)17-2/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPOHQSCBNIPCBBC-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61245711
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 42916747
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
2-amino-N-[5-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-pyridinyl]acetamide
CID 82034085
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
CID 43115419
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol
CID 106537295
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide (CID 43517740) is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NC(C)C2CC3CCC2C3)ccn1.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is POHQSCBNIPCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(14-8-11-3-4-12(14)7-11)19-13-5-6-18-15(9-13)16(20)17-2/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide?
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43517740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).