N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C19H24N4O3 — CID 91765223

IUPACN-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCOc1cncc(C(NC(=O)C2(Cn3ccnc3)CC2)C2CC(O)C2)c1
InChIInChI=1S/C19H24N4O3/c1-26-16-8-14(9-21-10-16)17(13-6-15(24)7-13)22-18(25)19(2-3-19)11-23-5-4-20-12-23/h4-5,8-10,12-13,15,17,24H,2-3,6-7,11H2,1H3,(H,22,25)
InChIKeyPUBJRTSNXKARPB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.70
Rot. Bonds7

About N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 91765223) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID91765223
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCOc1cncc(C(NC(=O)C2(Cn3ccnc3)CC2)C2CC(O)C2)c1
InChIInChI=1S/C19H24N4O3/c1-26-16-8-14(9-21-10-16)17(13-6-15(24)7-13)22-18(25)19(2-3-19)11-23-5-4-20-12-23/h4-5,8-10,12-13,15,17,24H,2-3,6-7,11H2,1H3,(H,22,25)
InChIKeyPUBJRTSNXKARPB-UHFFFAOYSA-N
XLogP1.70
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-methoxyacetamide
CID 91783772
3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 91790438
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772492
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91775243
2-ethyl-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 91764734
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91788000
N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131920217
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 91787528
1-(imidazol-1-ylmethyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 125447141
N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 91762982
1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125443628
2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91760458

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 91765223) is N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is COc1cncc(C(NC(=O)C2(Cn3ccnc3)CC2)C2CC(O)C2)c1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is PUBJRTSNXKARPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-16-8-14(9-21-10-16)17(13-6-15(24)7-13)22-18(25)19(2-3-19)11-23-5-4-20-12-23/h4-5,8-10,12-13,15,17,24H,2-3,6-7,11H2,1H3,(H,22,25).
What are the key properties of N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91765223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).