N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide

C17H24N4O3 — CID 110253447

IUPACN-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
SMILESCc1ncncc1C(=O)N1CCOC(C)(C(=O)NC2CCCC2)C1
InChIInChI=1S/C17H24N4O3/c1-12-14(9-18-11-19-12)15(22)21-7-8-24-17(2,10-21)16(23)20-13-5-3-4-6-13/h9,11,13H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyULCZFHLSWMRVPQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.07
Rot. Bonds3

About N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide

N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide (PubChem CID 110253447) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
PubChem CID110253447
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
SMILESCc1ncncc1C(=O)N1CCOC(C)(C(=O)NC2CCCC2)C1
InChIInChI=1S/C17H24N4O3/c1-12-14(9-18-11-19-12)15(22)21-7-8-24-17(2,10-21)16(23)20-13-5-3-4-6-13/h9,11,13H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyULCZFHLSWMRVPQ-UHFFFAOYSA-N
XLogP1.07
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide (CID 110253447) is N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide is Cc1ncncc1C(=O)N1CCOC(C)(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is ULCZFHLSWMRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-14(9-18-11-19-12)15(22)21-7-8-24-17(2,10-21)16(23)20-13-5-3-4-6-13/h9,11,13H,3-8,10H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 110253447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).