4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one

C21H28N6O — CID 157480223

IUPAC4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCc1cc2c(c(N)n1)CC(=O)N2Cc1ccc(NCCN2CCCCC2)nc1
InChIInChI=1S/C21H28N6O/c1-15-11-18-17(21(22)25-15)12-20(28)27(18)14-16-5-6-19(24-13-16)23-7-10-26-8-3-2-4-9-26/h5-6,11,13H,2-4,7-10,12,14H2,1H3,(H2,22,25)(H,23,24)
InChIKeyFGDICXHPZWIPHI-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.35
Rot. Bonds6

About 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one

4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one (PubChem CID 157480223) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one
PubChem CID157480223
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCc1cc2c(c(N)n1)CC(=O)N2Cc1ccc(NCCN2CCCCC2)nc1
InChIInChI=1S/C21H28N6O/c1-15-11-18-17(21(22)25-15)12-20(28)27(18)14-16-5-6-19(24-13-16)23-7-10-26-8-3-2-4-9-26/h5-6,11,13H,2-4,7-10,12,14H2,1H3,(H2,22,25)(H,23,24)
InChIKeyFGDICXHPZWIPHI-UHFFFAOYSA-N
XLogP2.35
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one (CID 157480223) is 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one is Cc1cc2c(c(N)n1)CC(=O)N2Cc1ccc(NCCN2CCCCC2)nc1.
What is the InChIKey of 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is FGDICXHPZWIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15-11-18-17(21(22)25-15)12-20(28)27(18)14-16-5-6-19(24-13-16)23-7-10-26-8-3-2-4-9-26/h5-6,11,13H,2-4,7-10,12,14H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one?
4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 380.50 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 157480223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).