N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

C20H26N6O4 — CID 125006523

IUPACN-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCOC[C@@](O)(CNC(=O)c2ccccn2)C1
InChIInChI=1S/C20H26N6O4/c1-13-15(14(2)25-19(21)24-13)9-17(27)26-7-8-30-12-20(29,11-26)10-23-18(28)16-5-3-4-6-22-16/h3-6,29H,7-12H2,1-2H3,(H,23,28)(H2,21,24,25)/t20-/m1/s1
InChIKeyUGUOILIZDQPLCM-HXUWFJFHSA-N
MW414.47 g/mol
LogP-0.37
Rot. Bonds5

About N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 125006523) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID125006523
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC NameN-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCOC[C@@](O)(CNC(=O)c2ccccn2)C1
InChIInChI=1S/C20H26N6O4/c1-13-15(14(2)25-19(21)24-13)9-17(27)26-7-8-30-12-20(29,11-26)10-23-18(28)16-5-3-4-6-22-16/h3-6,29H,7-12H2,1-2H3,(H,23,28)(H2,21,24,25)/t20-/m1/s1
InChIKeyUGUOILIZDQPLCM-HXUWFJFHSA-N
XLogP-0.37
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
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N-(cyclopropylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 149081760
N-(cyclopropylmethyl)-2-[methyl(2-pyridin-2-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
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US10906888, Example 20
CID 134177670
N-(2-(2-(2-(4-((pyridin-2-yl)methylamino)-6-(butylamino)-1,3,5-triazin-2-ylamino)ethoxy)ethoxy)ethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 125006523) is N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is Cc1nc(N)nc(C)c1CC(=O)N1CCOC[C@@](O)(CNC(=O)c2ccccn2)C1.
What is the InChIKey of N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is UGUOILIZDQPLCM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-13-15(14(2)25-19(21)24-13)9-17(27)26-7-8-30-12-20(29,11-26)10-23-18(28)16-5-3-4-6-22-16/h3-6,29H,7-12H2,1-2H3,(H,23,28)(H2,21,24,25)/t20-/m1/s1.
What are the key properties of N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 125006523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).