2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide

C26H32N4O3 — CID 67246696

IUPAC2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)C(CCNC(=O)c2cccn2C)Cc2ccccc2)cc(C)n1
InChIInChI=1S/C26H32N4O3/c1-5-33-24-18-21(16-19(2)28-24)26(32)30(4)22(17-20-10-7-6-8-11-20)13-14-27-25(31)23-12-9-15-29(23)3/h6-12,15-16,18,22H,5,13-14,17H2,1-4H3,(H,27,31)
InChIKeyZXGMNERKVSEZCQ-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.63
Rot. Bonds10

About 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide

2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide (PubChem CID 67246696) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide
PubChem CID67246696
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)C(CCNC(=O)c2cccn2C)Cc2ccccc2)cc(C)n1
InChIInChI=1S/C26H32N4O3/c1-5-33-24-18-21(16-19(2)28-24)26(32)30(4)22(17-20-10-7-6-8-11-20)13-14-27-25(31)23-12-9-15-29(23)3/h6-12,15-16,18,22H,5,13-14,17H2,1-4H3,(H,27,31)
InChIKeyZXGMNERKVSEZCQ-UHFFFAOYSA-N
XLogP3.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide (CID 67246696) is 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide is CCOc1cc(C(=O)N(C)C(CCNC(=O)c2cccn2C)Cc2ccccc2)cc(C)n1.
What is the InChIKey of 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide?
The InChIKey is ZXGMNERKVSEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-5-33-24-18-21(16-19(2)28-24)26(32)30(4)22(17-20-10-7-6-8-11-20)13-14-27-25(31)23-12-9-15-29(23)3/h6-12,15-16,18,22H,5,13-14,17H2,1-4H3,(H,27,31).
What are the key properties of 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide?
2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 67246696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).