N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

C25H26N4O3 — CID 134176742

IUPACN-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCCN1Cc2c(cc(NC(C)=O)nc2NCc2ccc(Oc3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C25H26N4O3/c1-4-29-15-22-21(25(29)31)13-23(27-17(3)30)28-24(22)26-14-18-7-11-20(12-8-18)32-19-9-5-16(2)6-10-19/h5-13H,4,14-15H2,1-3H3,(H2,26,27,28,30)
InChIKeyUWTOLXZQARDNRQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.73
Rot. Bonds7

About N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (PubChem CID 134176742) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
PubChem CID134176742
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCCN1Cc2c(cc(NC(C)=O)nc2NCc2ccc(Oc3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C25H26N4O3/c1-4-29-15-22-21(25(29)31)13-23(27-17(3)30)28-24(22)26-14-18-7-11-20(12-8-18)32-19-9-5-16(2)6-10-19/h5-13H,4,14-15H2,1-3H3,(H2,26,27,28,30)
InChIKeyUWTOLXZQARDNRQ-UHFFFAOYSA-N
XLogP4.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176760
2-(4-acetylpiperazin-1-yl)-4-[(4-methylphenyl)methylamino]-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723360
2-ethyl-4-[[(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176891
2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide
CID 58146158
ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
CID 39886314
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
2-benzyl-4-[1-[4-(4-methylphenoxy)phenyl]ethylamino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134177155
ethyl 4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112872020
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 75528588
3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
CID 72869276

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (CID 134176742) is N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is CCN1Cc2c(cc(NC(C)=O)nc2NCc2ccc(Oc3ccc(C)cc3)cc2)C1=O.
What is the InChIKey of N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The InChIKey is UWTOLXZQARDNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-29-15-22-21(25(29)31)13-23(27-17(3)30)28-24(22)26-14-18-7-11-20(12-8-18)32-19-9-5-16(2)6-10-19/h5-13H,4,14-15H2,1-3H3,(H2,26,27,28,30).
What are the key properties of N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 134176742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).