N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide

C23H28N4O3 — CID 176516512

IUPACN-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc(-c2[nH]c3ccc(OC)nc3c2CCNC(C)=O)cc1
InChIInChI=1S/C23H28N4O3/c1-4-5-20(29)25-14-16-6-8-17(9-7-16)22-18(12-13-24-15(2)28)23-19(26-22)10-11-21(27-23)30-3/h6-11,26H,4-5,12-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyRRADITVFRKAJOL-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.33
Rot. Bonds9

About N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide

N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide (PubChem CID 176516512) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide
PubChem CID176516512
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc(-c2[nH]c3ccc(OC)nc3c2CCNC(C)=O)cc1
InChIInChI=1S/C23H28N4O3/c1-4-5-20(29)25-14-16-6-8-17(9-7-16)22-18(12-13-24-15(2)28)23-19(26-22)10-11-21(27-23)30-3/h6-11,26H,4-5,12-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyRRADITVFRKAJOL-UHFFFAOYSA-N
XLogP3.33
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]butanamide
CID 835678
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 25492281
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
N-[2-(3-methoxy-7,8-dihydro-6H-pyrido[2,3-b]pyrrolizin-5-yl)ethyl]acetamide
CID 18758205
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide
CID 21263072
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide?
The IUPAC name of N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide (CID 176516512) is N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide.
What is the SMILES notation for N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide?
The canonical SMILES for N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide is CCCC(=O)NCc1ccc(-c2[nH]c3ccc(OC)nc3c2CCNC(C)=O)cc1.
What is the InChIKey of N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide?
The InChIKey is RRADITVFRKAJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-5-20(29)25-14-16-6-8-17(9-7-16)22-18(12-13-24-15(2)28)23-19(26-22)10-11-21(27-23)30-3/h6-11,26H,4-5,12-14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide?
N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide has a molecular weight of 408.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide is sourced from PubChem (CID 176516512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).