N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

C27H32N4O4 — CID 55653506

IUPACN-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C27H32N4O4/c1-35-23-10-21(4-5-22(23)31-26(34)20-3-2-6-28-15-20)30-25(33)16-29-24(32)14-27-11-17-7-18(12-27)9-19(8-17)13-27/h2-6,10,15,17-19H,7-9,11-14,16H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyLPJIABXQFLTCSP-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.00
Rot. Bonds8

About N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 55653506) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID55653506
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C27H32N4O4/c1-35-23-10-21(4-5-22(23)31-26(34)20-3-2-6-28-15-20)30-25(33)16-29-24(32)14-27-11-17-7-18(12-27)9-19(8-17)13-27/h2-6,10,15,17-19H,7-9,11-14,16H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyLPJIABXQFLTCSP-UHFFFAOYSA-N
XLogP4.00
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
CID 35151780
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55671110

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 55653506) is N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is LPJIABXQFLTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-35-23-10-21(4-5-22(23)31-26(34)20-3-2-6-28-15-20)30-25(33)16-29-24(32)14-27-11-17-7-18(12-27)9-19(8-17)13-27/h2-6,10,15,17-19H,7-9,11-14,16H2,1H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55653506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).