8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide

C22H24N4O3 — CID 146115761

IUPAC8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
SMILESCO[C@H]1C[C@@H](CNC(=O)c2cccc3cccc(O)c23)N(c2cc(C)ncn2)C1
InChIInChI=1S/C22H24N4O3/c1-14-9-20(25-13-24-14)26-12-17(29-2)10-16(26)11-23-22(28)18-7-3-5-15-6-4-8-19(27)21(15)18/h3-9,13,16-17,27H,10-12H2,1-2H3,(H,23,28)/t16-,17-/m0/s1
InChIKeyONRGOWBSYJKHJP-IRXDYDNUSA-N
MW392.46 g/mol
LogP2.67
Rot. Bonds5

About 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide

8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 146115761) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID146115761
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
SMILESCO[C@H]1C[C@@H](CNC(=O)c2cccc3cccc(O)c23)N(c2cc(C)ncn2)C1
InChIInChI=1S/C22H24N4O3/c1-14-9-20(25-13-24-14)26-12-17(29-2)10-16(26)11-23-22(28)18-7-3-5-15-6-4-8-19(27)21(15)18/h3-9,13,16-17,27H,10-12H2,1-2H3,(H,23,28)/t16-,17-/m0/s1
InChIKeyONRGOWBSYJKHJP-IRXDYDNUSA-N
XLogP2.67
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide (CID 146115761) is 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide is CO[C@H]1C[C@@H](CNC(=O)c2cccc3cccc(O)c23)N(c2cc(C)ncn2)C1.
What is the InChIKey of 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is ONRGOWBSYJKHJP-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-9-20(25-13-24-14)26-12-17(29-2)10-16(26)11-23-22(28)18-7-3-5-15-6-4-8-19(27)21(15)18/h3-9,13,16-17,27H,10-12H2,1-2H3,(H,23,28)/t16-,17-/m0/s1.
What are the key properties of 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 146115761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).