2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide

C15H24N4O — CID 62575287

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)c1ccncc1N
InChIInChI=1S/C15H24N4O/c1-19(14-8-9-17-10-13(14)16)11-15(20)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11,16H2,1H3,(H,18,20)
InChIKeyKYTKRAFUFXWVOP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide

2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide (PubChem CID 62575287) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
PubChem CID62575287
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)c1ccncc1N
InChIInChI=1S/C15H24N4O/c1-19(14-8-9-17-10-13(14)16)11-15(20)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11,16H2,1H3,(H,18,20)
InChIKeyKYTKRAFUFXWVOP-UHFFFAOYSA-N
XLogP1.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
CID 62575123
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide
CID 54957334
N-(3-amino-4-pyridinyl)-N-methylcycloheptanecarboxamide
CID 62585945
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114194996
2-[(3-amino-4-pyridinyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 61357480
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide (CID 62575287) is 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide is CN(CC(=O)NC1CCCCCC1)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide?
The InChIKey is KYTKRAFUFXWVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19(14-8-9-17-10-13(14)16)11-15(20)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11,16H2,1H3,(H,18,20).
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide?
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 62575287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).