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

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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).