2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide

C22H29N7O — CID 90961333

IUPAC2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(Nc2nccc(-n3ccc4c(N(C)C)cccc43)n2)CC1
InChIInChI=1S/C22H29N7O/c1-15(21(23)30)28-12-8-16(9-13-28)25-22-24-11-7-20(26-22)29-14-10-17-18(27(2)3)5-4-6-19(17)29/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H2,23,30)(H,24,25,26)
InChIKeyKOMIZEVWJNZPQA-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide

2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide (PubChem CID 90961333) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide
PubChem CID90961333
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(Nc2nccc(-n3ccc4c(N(C)C)cccc43)n2)CC1
InChIInChI=1S/C22H29N7O/c1-15(21(23)30)28-12-8-16(9-13-28)25-22-24-11-7-20(26-22)29-14-10-17-18(27(2)3)5-4-6-19(17)29/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H2,23,30)(H,24,25,26)
InChIKeyKOMIZEVWJNZPQA-UHFFFAOYSA-N
XLogP2.24
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quisinostat
CID 11538455
Delavuridine
CID 72346
Zipalertinib
CID 117918742
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
Quisinostat Hydrochloride
CID 25067557
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
CID 462952
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
N-[(1R)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5328387

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide?
The IUPAC name of 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide (CID 90961333) is 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide?
The canonical SMILES for 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(Nc2nccc(-n3ccc4c(N(C)C)cccc43)n2)CC1.
What is the InChIKey of 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide?
The InChIKey is KOMIZEVWJNZPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-15(21(23)30)28-12-8-16(9-13-28)25-22-24-11-7-20(26-22)29-14-10-17-18(27(2)3)5-4-6-19(17)29/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H2,23,30)(H,24,25,26).
What are the key properties of 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide?
2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide has a molecular weight of 407.52 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[4-(dimethylamino)indol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propanamide is sourced from PubChem (CID 90961333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).