N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide

C23H27N7O2 — CID 163287333

IUPACN-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1cnccc1N1CCN(C)c2cnc(-c3cccc(C)n3)nc21
InChIInChI=1S/C23H27N7O2/c1-4-16(14-31)27-23(32)17-12-24-9-8-19(17)30-11-10-29(3)20-13-25-21(28-22(20)30)18-7-5-6-15(2)26-18/h5-9,12-13,16,31H,4,10-11,14H2,1-3H3,(H,27,32)
InChIKeyNAVCEPTXGAFFGX-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.33
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide

N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide (PubChem CID 163287333) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
PubChem CID163287333
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1cnccc1N1CCN(C)c2cnc(-c3cccc(C)n3)nc21
InChIInChI=1S/C23H27N7O2/c1-4-16(14-31)27-23(32)17-12-24-9-8-19(17)30-11-10-29(3)20-13-25-21(28-22(20)30)18-7-5-6-15(2)26-18/h5-9,12-13,16,31H,4,10-11,14H2,1-3H3,(H,27,32)
InChIKeyNAVCEPTXGAFFGX-UHFFFAOYSA-N
XLogP2.33
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide (CID 163287333) is N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide is CCC(CO)NC(=O)c1cnccc1N1CCN(C)c2cnc(-c3cccc(C)n3)nc21.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
The InChIKey is NAVCEPTXGAFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-4-16(14-31)27-23(32)17-12-24-9-8-19(17)30-11-10-29(3)20-13-25-21(28-22(20)30)18-7-5-6-15(2)26-18/h5-9,12-13,16,31H,4,10-11,14H2,1-3H3,(H,27,32).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163287333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).