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

C23H26N4O2 — CID 42857549

IUPACN-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccoc4)CC3)nc2)cc1
InChIInChI=1S/C23H26N4O2/c1-18-3-5-20(6-4-18)23(28)25-21-7-8-22(24-15-21)27-11-2-10-26(12-13-27)16-19-9-14-29-17-19/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,25,28)
InChIKeyPASIITJRHAQKGW-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.95
Rot. Bonds5

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

N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide (PubChem CID 42857549) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
PubChem CID42857549
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccoc4)CC3)nc2)cc1
InChIInChI=1S/C23H26N4O2/c1-18-3-5-20(6-4-18)23(28)25-21-7-8-22(24-15-21)27-11-2-10-26(12-13-27)16-19-9-14-29-17-19/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,25,28)
InChIKeyPASIITJRHAQKGW-UHFFFAOYSA-N
XLogP3.95
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
2,2-dimethyl-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]propanamide
CID 46053898
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46054016
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857364
3,5-difluoro-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053951
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053761
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 42857846
N-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 42857326
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342811

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide (CID 42857549) is N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccoc4)CC3)nc2)cc1.
What is the InChIKey of N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide?
The InChIKey is PASIITJRHAQKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-3-5-20(6-4-18)23(28)25-21-7-8-22(24-15-21)27-11-2-10-26(12-13-27)16-19-9-14-29-17-19/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,25,28).
What are the key properties of N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide?
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.95, 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-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 42857549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).