2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide

C25H32N4O — CID 155210865

IUPAC2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide
SMILESCc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CCNC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H32N4O/c1-15(2)22-20-13-18(25(4,5)24(30)28-19-9-10-26-14-19)6-7-21(20)29-23(22)17-8-11-27-16(3)12-17/h6-8,11-13,15,19,26,29H,9-10,14H2,1-5H3,(H,28,30)
InChIKeyTYLQFOBRSSVIAP-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.42
Rot. Bonds5

About 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide

2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide (PubChem CID 155210865) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide
PubChem CID155210865
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide
SMILESCc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CCNC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H32N4O/c1-15(2)22-20-13-18(25(4,5)24(30)28-19-9-10-26-14-19)6-7-21(20)29-23(22)17-8-11-27-16(3)12-17/h6-8,11-13,15,19,26,29H,9-10,14H2,1-5H3,(H,28,30)
InChIKeyTYLQFOBRSSVIAP-UHFFFAOYSA-N
XLogP4.42
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-piperidin-3-ylpropanamide
CID 155210906
N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
CID 154641135
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
CID 151463876
4-methyl-4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[(3S)-pyrrolidin-3-yl]pentan-3-one
CID 158912677
N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
CID 154641090
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanal
CID 167082695
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol
CID 167082674
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)propanamide
CID 155210880
[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
CID 175343898
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide
CID 170167932
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide (CID 155210865) is 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide is Cc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CCNC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide?
The InChIKey is TYLQFOBRSSVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-15(2)22-20-13-18(25(4,5)24(30)28-19-9-10-26-14-19)6-7-21(20)29-23(22)17-8-11-27-16(3)12-17/h6-8,11-13,15,19,26,29H,9-10,14H2,1-5H3,(H,28,30).
What are the key properties of 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide?
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide has a molecular weight of 404.56 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 155210865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).