N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide

C20H19N5O — CID 112902218

IUPACN-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C20H19N5O/c1-14(26)22-16-6-8-17(9-7-16)23-20-21-12-10-19(24-20)25-13-11-15-4-2-3-5-18(15)25/h2-10,12H,11,13H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHABRLLVLUOZCNW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.87
Rot. Bonds4

About N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112902218) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112902218
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C20H19N5O/c1-14(26)22-16-6-8-17(9-7-16)23-20-21-12-10-19(24-20)25-13-11-15-4-2-3-5-18(15)25/h2-10,12H,11,13H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHABRLLVLUOZCNW-UHFFFAOYSA-N
XLogP3.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112902261
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865139
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
2-(2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176475
2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176481
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(3-methylbutylamino)sulfanylphenyl]pyrimidin-2-amine
CID 137446248
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide (CID 112902218) is N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is HABRLLVLUOZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(26)22-16-6-8-17(9-7-16)23-20-21-12-10-19(24-20)25-13-11-15-4-2-3-5-18(15)25/h2-10,12H,11,13H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112902218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).