(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone

C15H23N3O — CID 79074262

IUPAC(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)c2cccnc2N)CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(2)15(9-5-3-4-6-10-15)13(19)12-8-7-11-17-14(12)16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyGLKLYVPPZWODNC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds3

About (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone

(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone (PubChem CID 79074262) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
PubChem CID79074262
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)c2cccnc2N)CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(2)15(9-5-3-4-6-10-15)13(19)12-8-7-11-17-14(12)16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyGLKLYVPPZWODNC-UHFFFAOYSA-N
XLogP2.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066637
(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
CID 116748021
(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074631
(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
CID 116598621
(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79068248
[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
CID 79062257
2-amino-N',N'-dimethylpyridine-3-carbohydrazide
CID 83024659
[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
CID 79066112
(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79066724
[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231
1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369
2-aminopyridine-3-carboxylate
CID 4116530

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone (CID 79074262) is (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone is CN(C)C1(C(=O)c2cccnc2N)CCCCCC1.
What is the InChIKey of (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone?
The InChIKey is GLKLYVPPZWODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)15(9-5-3-4-6-10-15)13(19)12-8-7-11-17-14(12)16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17).
What are the key properties of (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone?
(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone is sourced from PubChem (CID 79074262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).