(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone

C15H23N3O — CID 104742169

IUPAC(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ncccc2N)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,3)11-6-9-18(10-7-11)14(19)13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyWWHCMWVXDGXUMH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.56
Rot. Bonds1

About (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone

(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 104742169) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID104742169
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ncccc2N)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,3)11-6-9-18(10-7-11)14(19)13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyWWHCMWVXDGXUMH-UHFFFAOYSA-N
XLogP2.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
(2-amino-3-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62160129
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
CID 143724925
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
(6-aminopyridazin-3-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 55042129

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone (CID 104742169) is (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone is CC(C)(C)C1CCN(C(=O)c2ncccc2N)CC1.
What is the InChIKey of (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is WWHCMWVXDGXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)11-6-9-18(10-7-11)14(19)13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone?
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 104742169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).