N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide

C38H42N4O5 — CID 134340903

IUPACN-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide
SMILESC=CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(CCC(OCC=C)c3c(C)c(C=O)cc4cccn34)[nH]c2=O)cc2cccn12
InChIInChI=1S/C38H42N4O5/c1-7-17-46-27(6)35-26(5)32(21-31-12-10-15-41(31)35)37(44)39-22-33-24(3)19-29(40-38(33)45)13-14-34(47-18-8-2)36-25(4)28(23-43)20-30-11-9-16-42(30)36/h7-12,15-16,19-21,23,27,34H,1-2,13-14,17-18,22H2,3-6H3,(H,39,44)(H,40,45)
InChIKeyOMZNYKRDFORWQW-UHFFFAOYSA-N
MW634.78 g/mol
LogP6.69
Rot. Bonds15

About N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide

N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide (PubChem CID 134340903) has the molecular formula C38H42N4O5 and a molecular weight of 634.78 g/mol. Its IUPAC name is N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide
PubChem CID134340903
Molecular FormulaC38H42N4O5
Molecular Weight634.78 g/mol
Exact Mass634.32
IUPAC NameN-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide
SMILESC=CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(CCC(OCC=C)c3c(C)c(C=O)cc4cccn34)[nH]c2=O)cc2cccn12
InChIInChI=1S/C38H42N4O5/c1-7-17-46-27(6)35-26(5)32(21-31-12-10-15-41(31)35)37(44)39-22-33-24(3)19-29(40-38(33)45)13-14-34(47-18-8-2)36-25(4)28(23-43)20-30-11-9-16-42(30)36/h7-12,15-16,19-21,23,27,34H,1-2,13-14,17-18,22H2,3-6H3,(H,39,44)(H,40,45)
InChIKeyOMZNYKRDFORWQW-UHFFFAOYSA-N
XLogP6.69
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide with MolForge

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Related Compounds

CID 156907466
CID 156907466
CID 156907467
CID 156907467
CID 156907468
CID 156907468
CID 156907469
CID 156907469
CID 156907457
CID 156907457
CID 156907459
CID 156907459
CID 156907460
CID 156907460
CID 156907461
CID 156907461
CID 156907463
CID 156907463
CID 156907464
CID 156907464
CID 156907465
CID 156907465
CID 156907470
CID 156907470

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide?
The IUPAC name of N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide (CID 134340903) is N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide?
The canonical SMILES for N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide is C=CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(CCC(OCC=C)c3c(C)c(C=O)cc4cccn34)[nH]c2=O)cc2cccn12.
What is the InChIKey of N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide?
The InChIKey is OMZNYKRDFORWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N4O5/c1-7-17-46-27(6)35-26(5)32(21-31-12-10-15-41(31)35)37(44)39-22-33-24(3)19-29(40-38(33)45)13-14-34(47-18-8-2)36-25(4)28(23-43)20-30-11-9-16-42(30)36/h7-12,15-16,19-21,23,27,34H,1-2,13-14,17-18,22H2,3-6H3,(H,39,44)(H,40,45).
What are the key properties of N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide?
N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide has a molecular weight of 634.78 g/mol, XLogP of 6.69, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(7-formyl-6-methylindolizin-5-yl)-3-prop-2-enoxypropyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide is sourced from PubChem (CID 134340903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).