6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide

C21H17N9O3 — CID 144765721

IUPAC6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1nc(C(=O)Nc2ccncc2)nc(C(O)Nc2ccncc2)n1
InChIInChI=1S/C21H17N9O3/c31-19(25-13-1-7-22-8-2-13)16-28-17(20(32)26-14-3-9-23-10-4-14)30-18(29-16)21(33)27-15-5-11-24-12-6-15/h1-12,19,31H,(H,22,25)(H,23,26,32)(H,24,27,33)
InChIKeyBVTYPBZLMMGASO-UHFFFAOYSA-N
MW443.43 g/mol
LogP1.66
Rot. Bonds7

About 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide

6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide (PubChem CID 144765721) has the molecular formula C21H17N9O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide
PubChem CID144765721
Molecular FormulaC21H17N9O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1nc(C(=O)Nc2ccncc2)nc(C(O)Nc2ccncc2)n1
InChIInChI=1S/C21H17N9O3/c31-19(25-13-1-7-22-8-2-13)16-28-17(20(32)26-14-3-9-23-10-4-14)30-18(29-16)21(33)27-15-5-11-24-12-6-15/h1-12,19,31H,(H,22,25)(H,23,26,32)(H,24,27,33)
InChIKeyBVTYPBZLMMGASO-UHFFFAOYSA-N
XLogP1.66
TPSA167.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide with MolForge

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Related Compounds

6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-ylpyrimidine-2,4-dicarboxamide
CID 144765608
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
[phosphono-(pyridin-4-ylamino)methyl]phosphonic acid
CID 13323581
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2,3,6-trichloro-N-pyridin-4-ylbenzamide
CID 59618030

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide?
The IUPAC name of 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide (CID 144765721) is 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide.
What is the SMILES notation for 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide?
The canonical SMILES for 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide is O=C(Nc1ccncc1)c1nc(C(=O)Nc2ccncc2)nc(C(O)Nc2ccncc2)n1.
What is the InChIKey of 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide?
The InChIKey is BVTYPBZLMMGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O3/c31-19(25-13-1-7-22-8-2-13)16-28-17(20(32)26-14-3-9-23-10-4-14)30-18(29-16)21(33)27-15-5-11-24-12-6-15/h1-12,19,31H,(H,22,25)(H,23,26,32)(H,24,27,33).
What are the key properties of 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide?
6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide has a molecular weight of 443.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide is sourced from PubChem (CID 144765721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).