(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone

C13H20N4O — CID 81236290

IUPAC(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cnccc2N)CC1
InChIInChI=1S/C13H20N4O/c1-2-5-16-6-8-17(9-7-16)13(18)11-10-15-4-3-12(11)14/h3-4,10H,2,5-9H2,1H3,(H2,14,15)
InChIKeyCYRGNZIHGWASGM-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds3

About (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone

(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 81236290) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID81236290
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cnccc2N)CC1
InChIInChI=1S/C13H20N4O/c1-2-5-16-6-8-17(9-7-16)13(18)11-10-15-4-3-12(11)14/h3-4,10H,2,5-9H2,1H3,(H2,14,15)
InChIKeyCYRGNZIHGWASGM-UHFFFAOYSA-N
XLogP0.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(4-amino-3-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854677
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 68771862
2-[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 114036479
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 114196779
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 105387852

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone (CID 81236290) is (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cnccc2N)CC1.
What is the InChIKey of (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is CYRGNZIHGWASGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-5-16-6-8-17(9-7-16)13(18)11-10-15-4-3-12(11)14/h3-4,10H,2,5-9H2,1H3,(H2,14,15).
What are the key properties of (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone?
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 81236290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).