N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide

C30H32N4O3 — CID 4031299

IUPACN-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)c2ccncc2)C2CC2)cc1
InChIInChI=1S/C30H32N4O3/c1-2-37-26-11-7-22(8-12-26)20-33(18-15-24-19-32-28-6-4-3-5-27(24)28)29(35)21-34(25-9-10-25)30(36)23-13-16-31-17-14-23/h3-8,11-14,16-17,19,25,32H,2,9-10,15,18,20-21H2,1H3
InChIKeyRWNAQBZAENSUHO-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.84
Rot. Bonds11

About N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide

N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 4031299) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID4031299
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)c2ccncc2)C2CC2)cc1
InChIInChI=1S/C30H32N4O3/c1-2-37-26-11-7-22(8-12-26)20-33(18-15-24-19-32-28-6-4-3-5-27(24)28)29(35)21-34(25-9-10-25)30(36)23-13-16-31-17-14-23/h3-8,11-14,16-17,19,25,32H,2,9-10,15,18,20-21H2,1H3
InChIKeyRWNAQBZAENSUHO-UHFFFAOYSA-N
XLogP4.84
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3264309
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]hexanamide
CID 5237679
N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4131063
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 3654791
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide
CID 4578351
4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4075256
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-hexylbenzamide
CID 42770597
N-cyclopropyl-4-fluoro-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 3278421
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42770552
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 4656430
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 5113360
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclobutanecarboxamide
CID 5000814

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide (CID 4031299) is N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide is CCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)c2ccncc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is RWNAQBZAENSUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-2-37-26-11-7-22(8-12-26)20-33(18-15-24-19-32-28-6-4-3-5-27(24)28)29(35)21-34(25-9-10-25)30(36)23-13-16-31-17-14-23/h3-8,11-14,16-17,19,25,32H,2,9-10,15,18,20-21H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 4031299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).