N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C25H27N7O4 — CID 11848857

IUPACN-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCn1cc(-c2cccnc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C25H27N7O4/c1-36-13-12-31-16-18(17-4-2-8-26-15-17)14-20(23(31)33)28-24(34)30-10-6-19(7-11-30)32-21-5-3-9-27-22(21)29-25(32)35/h2-5,8-9,14-16,19H,6-7,10-13H2,1H3,(H,28,34)(H,27,29,35)
InChIKeyNRZFQXKEAHADEZ-UHFFFAOYSA-N
MW489.54 g/mol
LogP2.46
Rot. Bonds6

About N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11848857) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11848857
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC NameN-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCn1cc(-c2cccnc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C25H27N7O4/c1-36-13-12-31-16-18(17-4-2-8-26-15-17)14-20(23(31)33)28-24(34)30-10-6-19(7-11-30)32-21-5-3-9-27-22(21)29-25(32)35/h2-5,8-9,14-16,19H,6-7,10-13H2,1H3,(H,28,34)(H,27,29,35)
InChIKeyNRZFQXKEAHADEZ-UHFFFAOYSA-N
XLogP2.46
TPSA127.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11848857) is N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is COCCn1cc(-c2cccnc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is NRZFQXKEAHADEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-36-13-12-31-16-18(17-4-2-8-26-15-17)14-20(23(31)33)28-24(34)30-10-6-19(7-11-30)32-21-5-3-9-27-22(21)29-25(32)35/h2-5,8-9,14-16,19H,6-7,10-13H2,1H3,(H,28,34)(H,27,29,35).
What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11848857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).