3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide

C26H27N7O2 — CID 147979880

IUPAC3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide
SMILESNCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnc4ccccc4c3N3CCOCC3)n2)cc1
InChIInChI=1S/C26H27N7O2/c27-10-9-17-5-7-18(8-6-17)21-15-30-25(28)23(31-21)26(34)32-22-16-29-20-4-2-1-3-19(20)24(22)33-11-13-35-14-12-33/h1-8,15-16H,9-14,27H2,(H2,28,30)(H,32,34)
InChIKeyISZXHUIZPSJIBF-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.86
Rot. Bonds6

About 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide

3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide (PubChem CID 147979880) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide
PubChem CID147979880
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide
SMILESNCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnc4ccccc4c3N3CCOCC3)n2)cc1
InChIInChI=1S/C26H27N7O2/c27-10-9-17-5-7-18(8-6-17)21-15-30-25(28)23(31-21)26(34)32-22-16-29-20-4-2-1-3-19(20)24(22)33-11-13-35-14-12-33/h1-8,15-16H,9-14,27H2,(H2,28,30)(H,32,34)
InChIKeyISZXHUIZPSJIBF-UHFFFAOYSA-N
XLogP2.86
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
CID 174022831
CID 174022831
3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 167178690
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
3-amino-6-[4-[[[(2S)-1-iodopyrrolidine-2-carbonyl]amino]methyl]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178568
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide
CID 167178687
5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide
CID 142493349
3-amino-6-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167710858
CID 174022880
CID 174022880
3-amino-6-(4-iodo-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178628
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide (CID 147979880) is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide is NCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnc4ccccc4c3N3CCOCC3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide?
The InChIKey is ISZXHUIZPSJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c27-10-9-17-5-7-18(8-6-17)21-15-30-25(28)23(31-21)26(34)32-22-16-29-20-4-2-1-3-19(20)24(22)33-11-13-35-14-12-33/h1-8,15-16H,9-14,27H2,(H2,28,30)(H,32,34).
What are the key properties of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide?
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 147979880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).