2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine

C23H27N9 — CID 71853674

IUPAC2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine
SMILESCN(C)c1cc(CNc2nc3cccnc3nc2NCc2ccnc(N(C)C)c2)ccn1
InChIInChI=1S/C23H27N9/c1-31(2)19-12-16(7-10-24-19)14-27-22-23(30-21-18(29-22)6-5-9-26-21)28-15-17-8-11-25-20(13-17)32(3)4/h5-13H,14-15H2,1-4H3,(H,27,29)(H,26,28,30)
InChIKeyIWHIBQPHKRVBBL-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.17
Rot. Bonds8

About 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine

2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine (PubChem CID 71853674) has the molecular formula C23H27N9 and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine
PubChem CID71853674
Molecular FormulaC23H27N9
Molecular Weight429.53 g/mol
Exact Mass429.24
IUPAC Name2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine
SMILESCN(C)c1cc(CNc2nc3cccnc3nc2NCc2ccnc(N(C)C)c2)ccn1
InChIInChI=1S/C23H27N9/c1-31(2)19-12-16(7-10-24-19)14-27-22-23(30-21-18(29-22)6-5-9-26-21)28-15-17-8-11-25-20(13-17)32(3)4/h5-13H,14-15H2,1-4H3,(H,27,29)(H,26,28,30)
InChIKeyIWHIBQPHKRVBBL-UHFFFAOYSA-N
XLogP3.17
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine (CID 71853674) is 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine is CN(C)c1cc(CNc2nc3cccnc3nc2NCc2ccnc(N(C)C)c2)ccn1.
What is the InChIKey of 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine?
The InChIKey is IWHIBQPHKRVBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9/c1-31(2)19-12-16(7-10-24-19)14-27-22-23(30-21-18(29-22)6-5-9-26-21)28-15-17-8-11-25-20(13-17)32(3)4/h5-13H,14-15H2,1-4H3,(H,27,29)(H,26,28,30).
What are the key properties of 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine?
2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine has a molecular weight of 429.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine is sourced from PubChem (CID 71853674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).