2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide

C20H29N5O2 — CID 110223868

IUPAC2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide
SMILESCC(C)CC(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1
InChIInChI=1S/C20H29N5O2/c1-14(2)11-17(21)20(27)23-16-5-9-24(10-6-16)19(26)13-25-8-4-15-3-7-22-12-18(15)25/h3-4,7-8,12,14,16-17H,5-6,9-11,13,21H2,1-2H3,(H,23,27)
InChIKeyRNGZHWBZQCMGHC-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.52
Rot. Bonds6

About 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide

2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide (PubChem CID 110223868) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide
PubChem CID110223868
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide
SMILESCC(C)CC(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1
InChIInChI=1S/C20H29N5O2/c1-14(2)11-17(21)20(27)23-16-5-9-24(10-6-16)19(26)13-25-8-4-15-3-7-22-12-18(15)25/h3-4,7-8,12,14,16-17H,5-6,9-11,13,21H2,1-2H3,(H,23,27)
InChIKeyRNGZHWBZQCMGHC-UHFFFAOYSA-N
XLogP1.52
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide (CID 110223868) is 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide is CC(C)CC(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1.
What is the InChIKey of 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide?
The InChIKey is RNGZHWBZQCMGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14(2)11-17(21)20(27)23-16-5-9-24(10-6-16)19(26)13-25-8-4-15-3-7-22-12-18(15)25/h3-4,7-8,12,14,16-17H,5-6,9-11,13,21H2,1-2H3,(H,23,27).
What are the key properties of 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide?
2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide has a molecular weight of 371.49 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 110223868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).