(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone

C14H22N4O — CID 62776991

IUPAC(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-13(15)10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyDXEQAXXXXNTVIS-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds3

About (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone

(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone (PubChem CID 62776991) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
PubChem CID62776991
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-13(15)10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyDXEQAXXXXNTVIS-UHFFFAOYSA-N
XLogP1.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62773614
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
(4-butan-2-ylpiperazin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107728492
1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
CID 167885756
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
(4-butan-2-ylpiperazin-1-yl)-(6-chloro-3-pyridinyl)methanone
CID 62776003
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 113072939
(3-bromo-4-methoxyphenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778016
(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone
CID 123428768

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone (CID 62776991) is (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone is CCC(C)N1CCN(C(=O)c2ccnc(N)c2)CC1.
What is the InChIKey of (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DXEQAXXXXNTVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-13(15)10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone?
(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62776991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).