N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine

C22H23N5O — CID 134804964

IUPACN',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESCc1noc2c(-c3cccnc3NCCN(C)C)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H23N5O/c1-15-20-21(28-26-15)18(14-19(25-20)16-8-5-4-6-9-16)17-10-7-11-23-22(17)24-12-13-27(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,24)
InChIKeyCQGOHBDKDCIAEL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.23
Rot. Bonds6

About N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 134804964) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID134804964
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESCc1noc2c(-c3cccnc3NCCN(C)C)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H23N5O/c1-15-20-21(28-26-15)18(14-19(25-20)16-8-5-4-6-9-16)17-10-7-11-23-22(17)24-12-13-27(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,24)
InChIKeyCQGOHBDKDCIAEL-UHFFFAOYSA-N
XLogP4.23
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine (CID 134804964) is N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine is Cc1noc2c(-c3cccnc3NCCN(C)C)cc(-c3ccccc3)nc12.
What is the InChIKey of N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is CQGOHBDKDCIAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-20-21(28-26-15)18(14-19(25-20)16-8-5-4-6-9-16)17-10-7-11-23-22(17)24-12-13-27(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,24).
What are the key properties of N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 373.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 134804964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).