2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide

C23H23N7O3 — CID 71578227

IUPAC2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(Nc2ncnc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C23H23N7O3/c1-32-23-17(5-4-11-24-23)22(31)29-16-9-7-15(8-10-16)28-20-19-21(26-13-25-20)30(14-27-19)18-6-2-3-12-33-18/h4-5,7-11,13-14,18H,2-3,6,12H2,1H3,(H,29,31)(H,25,26,28)
InChIKeyVQUBRHMIPKVGSD-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.92
Rot. Bonds6

About 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide

2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 71578227) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide
PubChem CID71578227
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(Nc2ncnc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C23H23N7O3/c1-32-23-17(5-4-11-24-23)22(31)29-16-9-7-15(8-10-16)28-20-19-21(26-13-25-20)30(14-27-19)18-6-2-3-12-33-18/h4-5,7-11,13-14,18H,2-3,6,12H2,1H3,(H,29,31)(H,25,26,28)
InChIKeyVQUBRHMIPKVGSD-UHFFFAOYSA-N
XLogP3.92
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide
CID 71578226
2-fluoro-N-[3-fluoro-4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide
CID 71578304
9-(oxan-2-yl)-N-[3-(trifluoromethyl)phenyl]purin-6-amine
CID 71578828
N-[3-fluoro-4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71578371
tert-butyl 3-[[4-methyl-3-[[3-[9-[(2S)-oxan-2-yl]purin-6-yl]-2-pyridinyl]amino]phenyl]carbamoyl]indole-1-carboxylate
CID 170168217
5-chloro-4-cyano-N-[4-methyl-3-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]amino]phenyl]pyridine-2-carboxamide
CID 164905866
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821
3-(2-cyanopropan-2-yl)-N-[4-fluoro-3-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]amino]phenyl]benzamide
CID 164905528
N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575289
5-fluoro-N-[4-methyl-3-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164905397
5-[[2-iodo-9-(oxan-2-yl)purin-6-yl]amino]-2-methoxyphenol
CID 146574566
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide (CID 71578227) is 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc(Nc2ncnc3c2ncn3C2CCCCO2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is VQUBRHMIPKVGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-32-23-17(5-4-11-24-23)22(31)29-16-9-7-15(8-10-16)28-20-19-21(26-13-25-20)30(14-27-19)18-6-2-3-12-33-18/h4-5,7-11,13-14,18H,2-3,6,12H2,1H3,(H,29,31)(H,25,26,28).
What are the key properties of 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide?
2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71578227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).