N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C22H25N5O4 — CID 110216305

IUPACN-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1
InChIInChI=1S/C22H25N5O4/c1-15(25-20(29)16-4-5-19(28)24-13-16)21(30)26-11-7-22(31,8-12-26)14-27-10-6-17-18(27)3-2-9-23-17/h2-6,9-10,13,15,31H,7-8,11-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyKOGYKYYCMGWUHF-UHFFFAOYSA-N
MW423.47 g/mol
LogP0.90
Rot. Bonds5

About N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110216305) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110216305
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1
InChIInChI=1S/C22H25N5O4/c1-15(25-20(29)16-4-5-19(28)24-13-16)21(30)26-11-7-22(31,8-12-26)14-27-10-6-17-18(27)3-2-9-23-17/h2-6,9-10,13,15,31H,7-8,11-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyKOGYKYYCMGWUHF-UHFFFAOYSA-N
XLogP0.90
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 110216305) is N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)[nH]c1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1.
What is the InChIKey of N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KOGYKYYCMGWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15(25-20(29)16-4-5-19(28)24-13-16)21(30)26-11-7-22(31,8-12-26)14-27-10-6-17-18(27)3-2-9-23-17/h2-6,9-10,13,15,31H,7-8,11-12,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110216305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).