N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide

C23H28FN3O4 — CID 162682810

IUPACN-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
SMILESCOC[C@H]1CN(c2ccnc(C(=O)NC3(Cc4cc(F)ccc4OC)CC3)c2)CCO1
InChIInChI=1S/C23H28FN3O4/c1-29-15-19-14-27(9-10-31-19)18-5-8-25-20(12-18)22(28)26-23(6-7-23)13-16-11-17(24)3-4-21(16)30-2/h3-5,8,11-12,19H,6-7,9-10,13-15H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyLLSRLRUHNUKUCZ-LJQANCHMSA-N
MW429.49 g/mol
LogP2.59
Rot. Bonds8

About N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide

N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide (PubChem CID 162682810) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
PubChem CID162682810
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC NameN-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
SMILESCOC[C@H]1CN(c2ccnc(C(=O)NC3(Cc4cc(F)ccc4OC)CC3)c2)CCO1
InChIInChI=1S/C23H28FN3O4/c1-29-15-19-14-27(9-10-31-19)18-5-8-25-20(12-18)22(28)26-23(6-7-23)13-16-11-17(24)3-4-21(16)30-2/h3-5,8,11-12,19H,6-7,9-10,13-15H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyLLSRLRUHNUKUCZ-LJQANCHMSA-N
XLogP2.59
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682831
4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682920
N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 162682953
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682747
N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 162682814
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 122156203
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804
methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
CID 115538541
N-[1-(2,3-dihydro-1-benzofuran-7-ylmethyl)cyclopropyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
CID 162682793

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide (CID 162682810) is N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide is COC[C@H]1CN(c2ccnc(C(=O)NC3(Cc4cc(F)ccc4OC)CC3)c2)CCO1.
What is the InChIKey of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide?
The InChIKey is LLSRLRUHNUKUCZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-29-15-19-14-27(9-10-31-19)18-5-8-25-20(12-18)22(28)26-23(6-7-23)13-16-11-17(24)3-4-21(16)30-2/h3-5,8,11-12,19H,6-7,9-10,13-15H2,1-2H3,(H,26,28)/t19-/m1/s1.
What are the key properties of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide?
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162682810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).