N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide

C27H34N4O4 — CID 58060613

IUPACN-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide
SMILESCC1=C(C)c2cc(NC(=O)c3cc(OCCN4CCOCC4)nc(N4CCOCC4)c3)ccc2C1
InChIInChI=1S/C27H34N4O4/c1-19-15-21-3-4-23(18-24(21)20(19)2)28-27(32)22-16-25(31-8-12-34-13-9-31)29-26(17-22)35-14-7-30-5-10-33-11-6-30/h3-4,16-18H,5-15H2,1-2H3,(H,28,32)
InChIKeyKICRZXZSUGPLQC-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.23
Rot. Bonds7

About N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide

N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide (PubChem CID 58060613) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide
PubChem CID58060613
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide
SMILESCC1=C(C)c2cc(NC(=O)c3cc(OCCN4CCOCC4)nc(N4CCOCC4)c3)ccc2C1
InChIInChI=1S/C27H34N4O4/c1-19-15-21-3-4-23(18-24(21)20(19)2)28-27(32)22-16-25(31-8-12-34-13-9-31)29-26(17-22)35-14-7-30-5-10-33-11-6-30/h3-4,16-18H,5-15H2,1-2H3,(H,28,32)
InChIKeyKICRZXZSUGPLQC-UHFFFAOYSA-N
XLogP3.23
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide (CID 58060613) is N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide is CC1=C(C)c2cc(NC(=O)c3cc(OCCN4CCOCC4)nc(N4CCOCC4)c3)ccc2C1.
What is the InChIKey of N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide?
The InChIKey is KICRZXZSUGPLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-19-15-21-3-4-23(18-24(21)20(19)2)28-27(32)22-16-25(31-8-12-34-13-9-31)29-26(17-22)35-14-7-30-5-10-33-11-6-30/h3-4,16-18H,5-15H2,1-2H3,(H,28,32).
What are the key properties of N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide?
N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 58060613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).