N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide

C23H21N5O2 — CID 134186537

IUPACN-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2cccc(N(C)c3nc(C)nc4ccccc34)c2)nc1
InChIInChI=1S/C23H21N5O2/c1-15-26-20-10-5-4-9-19(20)22(27-15)28(3)17-7-6-8-18(13-17)30-21-12-11-16(14-25-21)23(29)24-2/h4-14H,1-3H3,(H,24,29)
InChIKeyIYGRYRVNNNMSEH-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.25
Rot. Bonds5

About N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide

N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide (PubChem CID 134186537) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide
PubChem CID134186537
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2cccc(N(C)c3nc(C)nc4ccccc34)c2)nc1
InChIInChI=1S/C23H21N5O2/c1-15-26-20-10-5-4-9-19(20)22(27-15)28(3)17-7-6-8-18(13-17)30-21-12-11-16(14-25-21)23(29)24-2/h4-14H,1-3H3,(H,24,29)
InChIKeyIYGRYRVNNNMSEH-UHFFFAOYSA-N
XLogP4.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]methyl]benzoic acid
CID 175115810
N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine
CID 134186531
N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine
CID 134186542
methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
CID 122550270
N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
CID 122550155
5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-N-nitrosopyrimidine-2-carboxamide
CID 122550144
methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
CID 122550232
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
CID 134186540
3-[(2-chloroquinazolin-4-yl)-methylamino]benzoic acid
CID 175557003
4-N-(3-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 80795195

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide (CID 134186537) is N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide is CNC(=O)c1ccc(Oc2cccc(N(C)c3nc(C)nc4ccccc34)c2)nc1.
What is the InChIKey of N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide?
The InChIKey is IYGRYRVNNNMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-26-20-10-5-4-9-19(20)22(27-15)28(3)17-7-6-8-18(13-17)30-21-12-11-16(14-25-21)23(29)24-2/h4-14H,1-3H3,(H,24,29).
What are the key properties of N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide?
N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 134186537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).