N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide

C22H22N6O — CID 122325822

IUPACN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3cc4ccccn4c3)cc2)n1
InChIInChI=1S/C22H22N6O/c1-3-23-22-24-15(2)12-20(27-22)25-17-7-9-18(10-8-17)26-21(29)16-13-19-6-4-5-11-28(19)14-16/h4-14H,3H2,1-2H3,(H,26,29)(H2,23,24,25,27)
InChIKeyXIYMGHWQGYUTMR-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide (PubChem CID 122325822) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide
PubChem CID122325822
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3cc4ccccn4c3)cc2)n1
InChIInChI=1S/C22H22N6O/c1-3-23-22-24-15(2)12-20(27-22)25-17-7-9-18(10-8-17)26-21(29)16-13-19-6-4-5-11-28(19)14-16/h4-14H,3H2,1-2H3,(H,26,29)(H2,23,24,25,27)
InChIKeyXIYMGHWQGYUTMR-UHFFFAOYSA-N
XLogP4.47
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122325764
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 53047801
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122325817
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 122325694
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122325741
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
CID 122325653
2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
CID 122325711
1-(2-chlorophenyl)-3-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]urea
CID 53047962
5-cyclopropyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122325758

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide?
The IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide (CID 122325822) is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)c3cc4ccccn4c3)cc2)n1.
What is the InChIKey of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide?
The InChIKey is XIYMGHWQGYUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-3-23-22-24-15(2)12-20(27-22)25-17-7-9-18(10-8-17)26-21(29)16-13-19-6-4-5-11-28(19)14-16/h4-14H,3H2,1-2H3,(H,26,29)(H2,23,24,25,27).
What are the key properties of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide?
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide is sourced from PubChem (CID 122325822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).