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

C21H23N7O2 — CID 163287384

IUPACN-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
SMILESCc1cccc(-c2ncc3c(n2)N(c2ccncc2C(=O)NCCO)CCN3C)n1
InChIInChI=1S/C21H23N7O2/c1-14-4-3-5-16(25-14)19-24-13-18-20(26-19)28(10-9-27(18)2)17-6-7-22-12-15(17)21(30)23-8-11-29/h3-7,12-13,29H,8-11H2,1-2H3,(H,23,30)
InChIKeyATLJLFFWAVNXAY-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.55
Rot. Bonds5

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

N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide (PubChem CID 163287384) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
PubChem CID163287384
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
SMILESCc1cccc(-c2ncc3c(n2)N(c2ccncc2C(=O)NCCO)CCN3C)n1
InChIInChI=1S/C21H23N7O2/c1-14-4-3-5-16(25-14)19-24-13-18-20(26-19)28(10-9-27(18)2)17-6-7-22-12-15(17)21(30)23-8-11-29/h3-7,12-13,29H,8-11H2,1-2H3,(H,23,30)
InChIKeyATLJLFFWAVNXAY-UHFFFAOYSA-N
XLogP1.55
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
CID 163287333
8-(2-amino-4-pyridinyl)-5-methyl-2-(6-methyl-2-pyridinyl)-7H-pteridin-6-one
CID 163287320
2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 163287329
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 66678363
5-methyl-2-(6-methyl-2-pyridinyl)pyrimidine
CID 170281119
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 102972377
N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162659193
7-methyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530338
4-(4-methyl-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 175992294

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide (CID 163287384) is N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide is Cc1cccc(-c2ncc3c(n2)N(c2ccncc2C(=O)NCCO)CCN3C)n1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
The InChIKey is ATLJLFFWAVNXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-14-4-3-5-16(25-14)19-24-13-18-20(26-19)28(10-9-27(18)2)17-6-7-22-12-15(17)21(30)23-8-11-29/h3-7,12-13,29H,8-11H2,1-2H3,(H,23,30).
What are the key properties of N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide?
N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163287384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).