N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

C20H30N4O2 — CID 72860570

IUPACN-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C20H30N4O2/c1-13(2)16-10-24(19-9-17(14-3-4-14)21-12-22-19)11-18(16)23-20(25)15-5-7-26-8-6-15/h9,12-16,18H,3-8,10-11H2,1-2H3,(H,23,25)/t16-,18+/m1/s1
InChIKeyPRZLCPMBXUTPFE-AEFFLSMTSA-N
MW358.49 g/mol
LogP2.36
Rot. Bonds5

About N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 72860570) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID72860570
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C20H30N4O2/c1-13(2)16-10-24(19-9-17(14-3-4-14)21-12-22-19)11-18(16)23-20(25)15-5-7-26-8-6-15/h9,12-16,18H,3-8,10-11H2,1-2H3,(H,23,25)/t16-,18+/m1/s1
InChIKeyPRZLCPMBXUTPFE-AEFFLSMTSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (CID 72860570) is N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is CC(C)[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1NC(=O)C1CCOCC1.
What is the InChIKey of N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is PRZLCPMBXUTPFE-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)16-10-24(19-9-17(14-3-4-14)21-12-22-19)11-18(16)23-20(25)15-5-7-26-8-6-15/h9,12-16,18H,3-8,10-11H2,1-2H3,(H,23,25)/t16-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 72860570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).