N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C19H27N5O3 — CID 166365528

IUPACN-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCC(C)(O)C(=O)NC1CCC(NC(=O)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C19H27N5O3/c1-3-9-19(2,27)18(26)24-13-6-4-12(5-7-13)23-17(25)15-14-8-10-20-16(14)22-11-21-15/h8,10-13,27H,3-7,9H2,1-2H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyDMHXIUNXFMPUIZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.67
Rot. Bonds6

About N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166365528) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID166365528
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCC(C)(O)C(=O)NC1CCC(NC(=O)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C19H27N5O3/c1-3-9-19(2,27)18(26)24-13-6-4-12(5-7-13)23-17(25)15-14-8-10-20-16(14)22-11-21-15/h8,10-13,27H,3-7,9H2,1-2H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyDMHXIUNXFMPUIZ-UHFFFAOYSA-N
XLogP1.67
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(2,2-dimethylpentanoylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365569
N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365473
[4-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)cyclohexyl]carbamic acid
CID 71258213
ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244380
tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-1-carboxylate;hydrochloride
CID 158592418
N-(1-piperidin-4-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166243214
5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 57382847
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
4-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122059153
2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
CID 114900437
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57382810

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 166365528) is N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CCCC(C)(O)C(=O)NC1CCC(NC(=O)c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is DMHXIUNXFMPUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-3-9-19(2,27)18(26)24-13-6-4-12(5-7-13)23-17(25)15-14-8-10-20-16(14)22-11-21-15/h8,10-13,27H,3-7,9H2,1-2H3,(H,23,25)(H,24,26)(H,20,21,22).
What are the key properties of N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166365528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).