2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol

C14H21N3O — CID 166205040

IUPAC2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol
SMILESCCCC(C)(CO)NCc1ccnc2[nH]ccc12
InChIInChI=1S/C14H21N3O/c1-3-6-14(2,10-18)17-9-11-4-7-15-13-12(11)5-8-16-13/h4-5,7-8,17-18H,3,6,9-10H2,1-2H3,(H,15,16)
InChIKeyIYXZSYLMHVYTNH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds6

About 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol

2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol (PubChem CID 166205040) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol
PubChem CID166205040
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol
SMILESCCCC(C)(CO)NCc1ccnc2[nH]ccc12
InChIInChI=1S/C14H21N3O/c1-3-6-14(2,10-18)17-9-11-4-7-15-13-12(11)5-8-16-13/h4-5,7-8,17-18H,3,6,9-10H2,1-2H3,(H,15,16)
InChIKeyIYXZSYLMHVYTNH-UHFFFAOYSA-N
XLogP2.20
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol?
The IUPAC name of 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol (CID 166205040) is 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol is CCCC(C)(CO)NCc1ccnc2[nH]ccc12.
What is the InChIKey of 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol?
The InChIKey is IYXZSYLMHVYTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-6-14(2,10-18)17-9-11-4-7-15-13-12(11)5-8-16-13/h4-5,7-8,17-18H,3,6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol?
2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 166205040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).