N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide

C20H23N5O4 — CID 53157056

IUPACN-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-n2cnc(C(=O)N3CCC4(CC3)OCCO4)c2)nc1)C1CC1
InChIInChI=1S/C20H23N5O4/c26-18(14-1-2-14)23-15-3-4-17(21-11-15)25-12-16(22-13-25)19(27)24-7-5-20(6-8-24)28-9-10-29-20/h3-4,11-14H,1-2,5-10H2,(H,23,26)
InChIKeyOVNRPQDLJQUQOR-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.59
Rot. Bonds4

About N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 53157056) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID53157056
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-n2cnc(C(=O)N3CCC4(CC3)OCCO4)c2)nc1)C1CC1
InChIInChI=1S/C20H23N5O4/c26-18(14-1-2-14)23-15-3-4-17(21-11-15)25-12-16(22-13-25)19(27)24-7-5-20(6-8-24)28-9-10-29-20/h3-4,11-14H,1-2,5-10H2,(H,23,26)
InChIKeyOVNRPQDLJQUQOR-UHFFFAOYSA-N
XLogP1.59
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 53157057
N-cycloheptyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53157027
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
[5-(4-chloroanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193844
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109310030
N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 53156979
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95099061
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylbutylamino)-2-pyridinyl]methanone
CID 109193809

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 53157056) is N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(-n2cnc(C(=O)N3CCC4(CC3)OCCO4)c2)nc1)C1CC1.
What is the InChIKey of N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is OVNRPQDLJQUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c26-18(14-1-2-14)23-15-3-4-17(21-11-15)25-12-16(22-13-25)19(27)24-7-5-20(6-8-24)28-9-10-29-20/h3-4,11-14H,1-2,5-10H2,(H,23,26).
What are the key properties of N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 53157056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).