6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide

C23H21N7O2 — CID 122316061

IUPAC6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Nc3cc(Nc4ccccn4)ncn3)cc2)cn1
InChIInChI=1S/C23H21N7O2/c1-2-32-22-11-6-16(14-25-22)23(31)29-18-9-7-17(8-10-18)28-20-13-21(27-15-26-20)30-19-5-3-4-12-24-19/h3-15H,2H2,1H3,(H,29,31)(H2,24,26,27,28,30)
InChIKeyUAGISVJOYCYPFI-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.40
Rot. Bonds8

About 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide

6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 122316061) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
PubChem CID122316061
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Nc3cc(Nc4ccccn4)ncn3)cc2)cn1
InChIInChI=1S/C23H21N7O2/c1-2-32-22-11-6-16(14-25-22)23(31)29-18-9-7-17(8-10-18)28-20-13-21(27-15-26-20)30-19-5-3-4-12-24-19/h3-15H,2H2,1H3,(H,29,31)(H2,24,26,27,28,30)
InChIKeyUAGISVJOYCYPFI-UHFFFAOYSA-N
XLogP4.40
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 122316467
3-fluoro-4-methoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316013
2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122316024
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
6-ethoxy-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 122314797
2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316044
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315819
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316019
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide (CID 122316061) is 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(Nc3cc(Nc4ccccn4)ncn3)cc2)cn1.
What is the InChIKey of 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is UAGISVJOYCYPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-2-32-22-11-6-16(14-25-22)23(31)29-18-9-7-17(8-10-18)28-20-13-21(27-15-26-20)30-19-5-3-4-12-24-19/h3-15H,2H2,1H3,(H,29,31)(H2,24,26,27,28,30).
What are the key properties of 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide?
6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 4.40, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122316061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).