N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide

C22H30N4O2 — CID 46053995

IUPACN-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCCN(Cc3ccco3)CC2)nc1)C1CCCCC1
InChIInChI=1S/C22H30N4O2/c27-22(18-6-2-1-3-7-18)24-19-9-10-21(23-16-19)26-12-5-11-25(13-14-26)17-20-8-4-15-28-20/h4,8-10,15-16,18H,1-3,5-7,11-14,17H2,(H,24,27)
InChIKeyHGLXJHYKQYAKIY-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.91
Rot. Bonds5

About N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 46053995) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID46053995
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCCN(Cc3ccco3)CC2)nc1)C1CCCCC1
InChIInChI=1S/C22H30N4O2/c27-22(18-6-2-1-3-7-18)24-19-9-10-21(23-16-19)26-12-5-11-25(13-14-26)17-20-8-4-15-28-20/h4,8-10,15-16,18H,1-3,5-7,11-14,17H2,(H,24,27)
InChIKeyHGLXJHYKQYAKIY-UHFFFAOYSA-N
XLogP3.91
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 42857815
N-[6-[4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42857578
N-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 42857695
N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42857574
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
1-(furan-2-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24793063
N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857434
1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040367
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499688
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]cyclohexanecarboxamide
CID 113013105

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 46053995) is N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(N2CCCN(Cc3ccco3)CC2)nc1)C1CCCCC1.
What is the InChIKey of N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is HGLXJHYKQYAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(18-6-2-1-3-7-18)24-19-9-10-21(23-16-19)26-12-5-11-25(13-14-26)17-20-8-4-15-28-20/h4,8-10,15-16,18H,1-3,5-7,11-14,17H2,(H,24,27).
What are the key properties of N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 46053995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).