N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide

C21H23F2N3O3 — CID 162682953

IUPACN-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1c(F)cc(F)cc1CC1(NC(=O)c2cc(N3CCOCC3)ccn2)CC1
InChIInChI=1S/C21H23F2N3O3/c1-28-19-14(10-15(22)11-17(19)23)13-21(3-4-21)25-20(27)18-12-16(2-5-24-18)26-6-8-29-9-7-26/h2,5,10-12H,3-4,6-9,13H2,1H3,(H,25,27)
InChIKeyZADFPKQTTQWLKI-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.71
Rot. Bonds6

About N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 162682953) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID162682953
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC NameN-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1c(F)cc(F)cc1CC1(NC(=O)c2cc(N3CCOCC3)ccn2)CC1
InChIInChI=1S/C21H23F2N3O3/c1-28-19-14(10-15(22)11-17(19)23)13-21(3-4-21)25-20(27)18-12-16(2-5-24-18)26-6-8-29-9-7-26/h2,5,10-12H,3-4,6-9,13H2,1H3,(H,25,27)
InChIKeyZADFPKQTTQWLKI-UHFFFAOYSA-N
XLogP2.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682810
4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682920
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
N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 162682814
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804680
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804
N-[1-(2,3-dihydro-1-benzofuran-7-ylmethyl)cyclopropyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
CID 162682793
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 112797570
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 162682953) is N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide is COc1c(F)cc(F)cc1CC1(NC(=O)c2cc(N3CCOCC3)ccn2)CC1.
What is the InChIKey of N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is ZADFPKQTTQWLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-28-19-14(10-15(22)11-17(19)23)13-21(3-4-21)25-20(27)18-12-16(2-5-24-18)26-6-8-29-9-7-26/h2,5,10-12H,3-4,6-9,13H2,1H3,(H,25,27).
What are the key properties of N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 162682953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).