(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C14H19BrN4O — CID 62185190

IUPAC(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ncc(Br)cc1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H19BrN4O/c15-11-7-12(13(16)17-8-11)14(20)19-5-3-18(4-6-19)9-10-1-2-10/h7-8,10H,1-6,9H2,(H2,16,17)
InChIKeyKJAGFQRDGMAOEG-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.59
Rot. Bonds3

About (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 62185190) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID62185190
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ncc(Br)cc1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H19BrN4O/c15-11-7-12(13(16)17-8-11)14(20)19-5-3-18(4-6-19)9-10-1-2-10/h7-8,10H,1-6,9H2,(H2,16,17)
InChIKeyKJAGFQRDGMAOEG-UHFFFAOYSA-N
XLogP1.59
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 62185337
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(3-amino-5-bromo-2-methylphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 107872402
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944
(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55049058
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
(5-bromo-3-pyridinyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 55956730

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 62185190) is (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is Nc1ncc(Br)cc1C(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is KJAGFQRDGMAOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c15-11-7-12(13(16)17-8-11)14(20)19-5-3-18(4-6-19)9-10-1-2-10/h7-8,10H,1-6,9H2,(H2,16,17).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 339.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62185190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).