6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

C25H31N5O — CID 143507259

IUPAC6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCn1cc(C2CCN(CC3CCN(c4ccc(C(N)=O)cn4)CC3)C2)c2ccccc21
InChIInChI=1S/C25H31N5O/c1-28-17-22(21-4-2-3-5-23(21)28)20-10-11-29(16-20)15-18-8-12-30(13-9-18)24-7-6-19(14-27-24)25(26)31/h2-7,14,17-18,20H,8-13,15-16H2,1H3,(H2,26,31)
InChIKeyIAUOHBMJZXTQOY-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.38
Rot. Bonds5

About 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 143507259) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID143507259
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCn1cc(C2CCN(CC3CCN(c4ccc(C(N)=O)cn4)CC3)C2)c2ccccc21
InChIInChI=1S/C25H31N5O/c1-28-17-22(21-4-2-3-5-23(21)28)20-10-11-29(16-20)15-18-8-12-30(13-9-18)24-7-6-19(14-27-24)25(26)31/h2-7,14,17-18,20H,8-13,15-16H2,1H3,(H2,26,31)
InChIKeyIAUOHBMJZXTQOY-UHFFFAOYSA-N
XLogP3.38
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 59556295
6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 176985331
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
6-[4-[(1-methylindazol-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 143507222
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 39820595
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
6-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]pyridine-3-carbonyl iodide
CID 166765068
naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657741
1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole
CID 167925104

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 143507259) is 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is Cn1cc(C2CCN(CC3CCN(c4ccc(C(N)=O)cn4)CC3)C2)c2ccccc21.
What is the InChIKey of 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is IAUOHBMJZXTQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-28-17-22(21-4-2-3-5-23(21)28)20-10-11-29(16-20)15-18-8-12-30(13-9-18)24-7-6-19(14-27-24)25(26)31/h2-7,14,17-18,20H,8-13,15-16H2,1H3,(H2,26,31).
What are the key properties of 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143507259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).