(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride

C12H18ClN3O — CID 120607916

IUPAC(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1cnccc1N.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-9-4-2-3-7-15(9)12(16)10-8-14-6-5-11(10)13;/h5-6,8-9H,2-4,7H2,1H3,(H2,13,14);1H
InChIKeyYWUJRXJQOARKER-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.10
Rot. Bonds1

About (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride

(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 120607916) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID120607916
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1cnccc1N.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-9-4-2-3-7-15(9)12(16)10-8-14-6-5-11(10)13;/h5-6,8-9H,2-4,7H2,1H3,(H2,13,14);1H
InChIKeyYWUJRXJQOARKER-UHFFFAOYSA-N
XLogP2.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 81242396
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-pyridinyl)methanone
CID 81245899
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-amino-3-pyridinyl)methanone
CID 124572102
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride (CID 120607916) is (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCCCN1C(=O)c1cnccc1N.Cl.
What is the InChIKey of (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is YWUJRXJQOARKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-9-4-2-3-7-15(9)12(16)10-8-14-6-5-11(10)13;/h5-6,8-9H,2-4,7H2,1H3,(H2,13,14);1H.
What are the key properties of (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120607916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).