(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone

C13H17ClN4O — CID 114923213

IUPAC(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCN(C3CC3)CC2)c(Cl)cn1
InChIInChI=1S/C13H17ClN4O/c14-11-8-16-12(15)7-10(11)13(19)18-5-3-17(4-6-18)9-1-2-9/h7-9H,1-6H2,(H2,15,16)
InChIKeyUDUBGTHMPCJUGG-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.24
Rot. Bonds2

About (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone

(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 114923213) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID114923213
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCN(C3CC3)CC2)c(Cl)cn1
InChIInChI=1S/C13H17ClN4O/c14-11-8-16-12(15)7-10(11)13(19)18-5-3-17(4-6-18)9-1-2-9/h7-9H,1-6H2,(H2,15,16)
InChIKeyUDUBGTHMPCJUGG-UHFFFAOYSA-N
XLogP1.24
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-chloro-4-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114923992
(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 114921648
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-amino-5-chloro-4-pyridinyl)methanone
CID 114922388
(2-chloro-5-sulfanylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 107024682
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923710
(2-amino-5-chloro-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114923574
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 82833278
(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 114922444
(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 114923213) is (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone is Nc1cc(C(=O)N2CCN(C3CC3)CC2)c(Cl)cn1.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is UDUBGTHMPCJUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-11-8-16-12(15)7-10(11)13(19)18-5-3-17(4-6-18)9-1-2-9/h7-9H,1-6H2,(H2,15,16).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 280.76 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 114923213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).