N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide

C27H21N5O3 — CID 70068017

IUPACN-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc(-n3c(=O)c(Cc4ccc[nH]c4=O)nc4cccnc43)c2)c1
InChIInChI=1S/C27H21N5O3/c1-17(33)30-21-9-2-6-18(14-21)19-7-3-10-22(15-19)32-25-23(11-5-12-28-25)31-24(27(32)35)16-20-8-4-13-29-26(20)34/h2-15H,16H2,1H3,(H,29,34)(H,30,33)
InChIKeyVPFQQSNLTNRNTO-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.69
Rot. Bonds5

About N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide

N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide (PubChem CID 70068017) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide
PubChem CID70068017
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC NameN-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc(-n3c(=O)c(Cc4ccc[nH]c4=O)nc4cccnc43)c2)c1
InChIInChI=1S/C27H21N5O3/c1-17(33)30-21-9-2-6-18(14-21)19-7-3-10-22(15-19)32-25-23(11-5-12-28-25)31-24(27(32)35)16-20-8-4-13-29-26(20)34/h2-15H,16H2,1H3,(H,29,34)(H,30,33)
InChIKeyVPFQQSNLTNRNTO-UHFFFAOYSA-N
XLogP3.69
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide (CID 70068017) is N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc(-n3c(=O)c(Cc4ccc[nH]c4=O)nc4cccnc43)c2)c1.
What is the InChIKey of N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide?
The InChIKey is VPFQQSNLTNRNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-17(33)30-21-9-2-6-18(14-21)19-7-3-10-22(15-19)32-25-23(11-5-12-28-25)31-24(27(32)35)16-20-8-4-13-29-26(20)34/h2-15H,16H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide?
N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide has a molecular weight of 463.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-oxo-2-[(2-oxo-1H-pyridin-3-yl)methyl]pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 70068017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).