N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide

C21H28N4O3 — CID 97435836

IUPACN-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide
SMILESCC[C@H](C)N(Cc1ccccn1)C(=O)Nc1cc(NC(=O)COC)ccc1C
InChIInChI=1S/C21H28N4O3/c1-5-16(3)25(13-18-8-6-7-11-22-18)21(27)24-19-12-17(10-9-15(19)2)23-20(26)14-28-4/h6-12,16H,5,13-14H2,1-4H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyCQKPKIUNBREBFJ-INIZCTEOSA-N
MW384.48 g/mol
LogP3.81
Rot. Bonds8

About N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide

N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide (PubChem CID 97435836) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide
PubChem CID97435836
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide
SMILESCC[C@H](C)N(Cc1ccccn1)C(=O)Nc1cc(NC(=O)COC)ccc1C
InChIInChI=1S/C21H28N4O3/c1-5-16(3)25(13-18-8-6-7-11-22-18)21(27)24-19-12-17(10-9-15(19)2)23-20(26)14-28-4/h6-12,16H,5,13-14H2,1-4H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyCQKPKIUNBREBFJ-INIZCTEOSA-N
XLogP3.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide with MolForge

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Related Compounds

2-methoxy-N-[4-methyl-3-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]phenyl]acetamide
CID 72842851
2-methoxy-N-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]acetamide
CID 47025423
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 131933449
N'-[(2R)-1-hydroxybutan-2-yl]-N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 95120471
2-methoxy-N-(4-pyridin-2-ylphenyl)acetamide
CID 110460506
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487441
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54777114
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide (CID 97435836) is N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide is CC[C@H](C)N(Cc1ccccn1)C(=O)Nc1cc(NC(=O)COC)ccc1C.
What is the InChIKey of N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide?
The InChIKey is CQKPKIUNBREBFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-5-16(3)25(13-18-8-6-7-11-22-18)21(27)24-19-12-17(10-9-15(19)2)23-20(26)14-28-4/h6-12,16H,5,13-14H2,1-4H3,(H,23,26)(H,24,27)/t16-/m0/s1.
What are the key properties of N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide?
N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide has a molecular weight of 384.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide is sourced from PubChem (CID 97435836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).