[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone

C14H21N3O — CID 113436179

IUPAC[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCCC(C)CC2)nc1
InChIInChI=1S/C14H21N3O/c1-11-4-3-8-17(9-7-11)14(18)13-6-5-12(15-2)10-16-13/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyXDTMRXRIFARFQG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds2

About [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone

[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone (PubChem CID 113436179) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
PubChem CID113436179
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCCC(C)CC2)nc1
InChIInChI=1S/C14H21N3O/c1-11-4-3-8-17(9-7-11)14(18)13-6-5-12(15-2)10-16-13/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyXDTMRXRIFARFQG-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104640276
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641203
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627770
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone?
The IUPAC name of [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone (CID 113436179) is [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone?
The canonical SMILES for [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone is CNc1ccc(C(=O)N2CCCC(C)CC2)nc1.
What is the InChIKey of [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone?
The InChIKey is XDTMRXRIFARFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-3-8-17(9-7-11)14(18)13-6-5-12(15-2)10-16-13/h5-6,10-11,15H,3-4,7-9H2,1-2H3.
What are the key properties of [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone?
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 113436179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).