3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide

C16H19BrN6O — CID 88852598

IUPAC3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)Nc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C16H19BrN6O/c17-13-9-20-15(19)14(22-13)16(24)21-11-3-1-2-4-12(11)23-7-5-10(18)6-8-23/h1-4,9-10H,5-8,18H2,(H2,19,20)(H,21,24)
InChIKeyQSGQCLNQHVASFH-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide

3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide (PubChem CID 88852598) has the molecular formula C16H19BrN6O and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
PubChem CID88852598
Molecular FormulaC16H19BrN6O
Molecular Weight391.27 g/mol
Exact Mass390.08
IUPAC Name3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)Nc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C16H19BrN6O/c17-13-9-20-15(19)14(22-13)16(24)21-11-3-1-2-4-12(11)23-7-5-10(18)6-8-23/h1-4,9-10H,5-8,18H2,(H2,19,20)(H,21,24)
InChIKeyQSGQCLNQHVASFH-UHFFFAOYSA-N
XLogP2.00
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
CID 88852610
3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide
CID 145468511
4-[[4-[[2-(4-aminopiperidin-1-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-3-carboxylic acid
CID 24967759
3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
CID 139333387
1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide
CID 56566760
4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
methyl 3-[[4-[[2-(4-aminopiperidin-1-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
CID 24965618
N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-2-bromo-1,3-thiazole-4-carboxamide
CID 67269983
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 71053466
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 118873214
1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
CID 162256564
3-amino-6-bromo-N-[5-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-pyrimidin-6-yl]pyrazine-2-carboxamide
CID 88852481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide (CID 88852598) is 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide is Nc1ncc(Br)nc1C(=O)Nc1ccccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide?
The InChIKey is QSGQCLNQHVASFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6O/c17-13-9-20-15(19)14(22-13)16(24)21-11-3-1-2-4-12(11)23-7-5-10(18)6-8-23/h1-4,9-10H,5-8,18H2,(H2,19,20)(H,21,24).
What are the key properties of 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide?
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide is sourced from PubChem (CID 88852598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).