[4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid

C24H29N5O3 — CID 69089025

IUPAC[4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid
SMILESCn1nccc1-c1ccc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)nc1
InChIInChI=1S/C24H29N5O3/c1-24(2,3)21(28-23(31)32)19(14-16-8-6-5-7-9-16)27-22(30)18-11-10-17(15-25-18)20-12-13-26-29(20)4/h5-13,15,19,21,28H,14H2,1-4H3,(H,27,30)(H,31,32)
InChIKeyAKTKEIQBVOKHKT-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.51
Rot. Bonds7

About [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid

[4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid (PubChem CID 69089025) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid.

Molecular Properties

Compound Name[4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid
PubChem CID69089025
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name[4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid
SMILESCn1nccc1-c1ccc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)nc1
InChIInChI=1S/C24H29N5O3/c1-24(2,3)21(28-23(31)32)19(14-16-8-6-5-7-9-16)27-22(30)18-11-10-17(15-25-18)20-12-13-26-29(20)4/h5-13,15,19,21,28H,14H2,1-4H3,(H,27,30)(H,31,32)
InChIKeyAKTKEIQBVOKHKT-UHFFFAOYSA-N
XLogP3.51
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid with MolForge

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Related Compounds

[2-[hydroxy-[4-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-4,4-dimethyl-1-phenylpentan-3-yl]carbamic acid
CID 87687279
[4,4-dimethyl-1-phenyl-2-[(3,4,5-tribromothiophene-2-carbonyl)amino]pentan-3-yl]carbamic acid
CID 69021694
5-(ethylamino)-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 104641246
5-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 81317136
5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 71074543
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 118074782
N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
CID 25050634
methyl (2S)-2-amino-3-[4-(2-methylpyrazol-3-yl)phenyl]propanoate;dihydrochloride
CID 66719717
N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
CID 25050984
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid
CID 63975657

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid?
The IUPAC name of [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid (CID 69089025) is [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid.
What is the SMILES notation for [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid?
The canonical SMILES for [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid is Cn1nccc1-c1ccc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)nc1.
What is the InChIKey of [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid?
The InChIKey is AKTKEIQBVOKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-24(2,3)21(28-23(31)32)19(14-16-8-6-5-7-9-16)27-22(30)18-11-10-17(15-25-18)20-12-13-26-29(20)4/h5-13,15,19,21,28H,14H2,1-4H3,(H,27,30)(H,31,32).
What are the key properties of [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid?
[4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid has a molecular weight of 435.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid is sourced from PubChem (CID 69089025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).