4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

C30H29N5O3S — CID 58101547

IUPAC4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCOCCN(CCOC)c1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)c1
InChIInChI=1S/C30H29N5O3S/c1-37-17-15-35(16-18-38-2)22-19-26(21-9-4-3-5-10-21)32-27(20-22)28(36)33-24-12-7-6-11-23(24)29-34-25-13-8-14-31-30(25)39-29/h3-14,19-20H,15-18H2,1-2H3,(H,33,36)
InChIKeyGHBVIIVAUFMHLB-UHFFFAOYSA-N
MW539.66 g/mol
LogP5.77
Rot. Bonds11

About 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58101547) has the molecular formula C30H29N5O3S and a molecular weight of 539.66 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58101547
Molecular FormulaC30H29N5O3S
Molecular Weight539.66 g/mol
Exact Mass539.20
IUPAC Name4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCOCCN(CCOC)c1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)c1
InChIInChI=1S/C30H29N5O3S/c1-37-17-15-35(16-18-38-2)22-19-26(21-9-4-3-5-10-21)32-27(20-22)28(36)33-24-12-7-6-11-23(24)29-34-25-13-8-14-31-30(25)39-29/h3-14,19-20H,15-18H2,1-2H3,(H,33,36)
InChIKeyGHBVIIVAUFMHLB-UHFFFAOYSA-N
XLogP5.77
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 66867968
4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 159288659
6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58101527
6-(2-aminoethoxy)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101513
4-(4-butylpiperazin-1-yl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 71013781
6-(benzylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101482
6-(2-aminoethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101617
6-(1,3-dihydroxypropan-2-ylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 66867745
6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 143803020
2-phenyl-6-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624112
2-phenyl-5-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 46245134
6-[[(2S)-2,3-dihydroxypropyl]amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624296

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58101547) is 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is COCCN(CCOC)c1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)c1.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is GHBVIIVAUFMHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3S/c1-37-17-15-35(16-18-38-2)22-19-26(21-9-4-3-5-10-21)32-27(20-22)28(36)33-24-12-7-6-11-23(24)29-34-25-13-8-14-31-30(25)39-29/h3-14,19-20H,15-18H2,1-2H3,(H,33,36).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 539.66 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58101547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).