N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide

C23H31N5O — CID 143580388

IUPACN-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide
SMILESCCc1cc2[nH]cc(CC)c2nc1-c1ccc(C(C)C)nc1NCCNC(C)=O
InChIInChI=1S/C23H31N5O/c1-6-16-12-20-22(17(7-2)13-26-20)28-21(16)18-8-9-19(14(3)4)27-23(18)25-11-10-24-15(5)29/h8-9,12-14,26H,6-7,10-11H2,1-5H3,(H,24,29)(H,25,27)
InChIKeyPMBRDYJUMIWWLD-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.42
Rot. Bonds8

About N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide

N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 143580388) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide
PubChem CID143580388
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide
SMILESCCc1cc2[nH]cc(CC)c2nc1-c1ccc(C(C)C)nc1NCCNC(C)=O
InChIInChI=1S/C23H31N5O/c1-6-16-12-20-22(17(7-2)13-26-20)28-21(16)18-8-9-19(14(3)4)27-23(18)25-11-10-24-15(5)29/h8-9,12-14,26H,6-7,10-11H2,1-5H3,(H,24,29)(H,25,27)
InChIKeyPMBRDYJUMIWWLD-UHFFFAOYSA-N
XLogP4.42
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide (CID 143580388) is N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide is CCc1cc2[nH]cc(CC)c2nc1-c1ccc(C(C)C)nc1NCCNC(C)=O.
What is the InChIKey of N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is PMBRDYJUMIWWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-6-16-12-20-22(17(7-2)13-26-20)28-21(16)18-8-9-19(14(3)4)27-23(18)25-11-10-24-15(5)29/h8-9,12-14,26H,6-7,10-11H2,1-5H3,(H,24,29)(H,25,27).
What are the key properties of N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide?
N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 393.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 143580388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).