N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide

C25H21N5O2 — CID 52919735

IUPACN-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ccc4ccn(-c5cc(N)ncn5)c4c3)c2)c(C)o1
InChIInChI=1S/C25H21N5O2/c1-15-10-21(16(2)32-15)25(31)29-20-5-3-4-18(11-20)19-7-6-17-8-9-30(22(17)12-19)24-13-23(26)27-14-28-24/h3-14H,1-2H3,(H,29,31)(H2,26,27,28)
InChIKeyVMUXXKMGDYPWRR-UHFFFAOYSA-N
MW423.48 g/mol
LogP5.13
Rot. Bonds4

About N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide

N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 52919735) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID52919735
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ccc4ccn(-c5cc(N)ncn5)c4c3)c2)c(C)o1
InChIInChI=1S/C25H21N5O2/c1-15-10-21(16(2)32-15)25(31)29-20-5-3-4-18(11-20)19-7-6-17-8-9-30(22(17)12-19)24-13-23(26)27-14-28-24/h3-14H,1-2H3,(H,29,31)(H2,26,27,28)
InChIKeyVMUXXKMGDYPWRR-UHFFFAOYSA-N
XLogP5.13
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
1-[3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]indol-6-yl]phenyl]-3-(2-methoxyphenyl)urea
CID 52919974
2,5-dimethyl-N-(2-phenylpyrimidin-5-yl)furan-3-carboxamide
CID 134009194
ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 46094395
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 59212401
2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
CID 12040666
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide (CID 52919735) is N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3ccc4ccn(-c5cc(N)ncn5)c4c3)c2)c(C)o1.
What is the InChIKey of N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VMUXXKMGDYPWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-15-10-21(16(2)32-15)25(31)29-20-5-3-4-18(11-20)19-7-6-17-8-9-30(22(17)12-19)24-13-23(26)27-14-28-24/h3-14H,1-2H3,(H,29,31)(H2,26,27,28).
What are the key properties of N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 52919735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).