N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine

C27H28N4O — CID 134588905

IUPACN-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
SMILESc1ccc(C(Nc2cc(N3CCN(Cc4ccoc4)CC3)ccn2)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-3-7-23(8-4-1)27(24-9-5-2-6-10-24)29-26-19-25(11-13-28-26)31-16-14-30(15-17-31)20-22-12-18-32-21-22/h1-13,18-19,21,27H,14-17,20H2,(H,28,29)
InChIKeyYWQNGDVXDQOMOY-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.20
Rot. Bonds7

About N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine

N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 134588905) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
PubChem CID134588905
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
SMILESc1ccc(C(Nc2cc(N3CCN(Cc4ccoc4)CC3)ccn2)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-3-7-23(8-4-1)27(24-9-5-2-6-10-24)29-26-19-25(11-13-28-26)31-16-14-30(15-17-31)20-22-12-18-32-21-22/h1-13,18-19,21,27H,14-17,20H2,(H,28,29)
InChIKeyYWQNGDVXDQOMOY-UHFFFAOYSA-N
XLogP5.20
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline
CID 134588844
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 21274449
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62299103
2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890533
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
4-(furan-3-ylmethyl)-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 126465051
N-benzhydryl-2-nitro-4-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]aniline
CID 134589052
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
N-ethyl-4-(4-ethylpiperazin-1-yl)pyridin-2-amine
CID 113367464
2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol
CID 134588732
3-ethyl-7-[4-(furan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53189691
N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945561

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine (CID 134588905) is N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine is c1ccc(C(Nc2cc(N3CCN(Cc4ccoc4)CC3)ccn2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is YWQNGDVXDQOMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-3-7-23(8-4-1)27(24-9-5-2-6-10-24)29-26-19-25(11-13-28-26)31-16-14-30(15-17-31)20-22-12-18-32-21-22/h1-13,18-19,21,27H,14-17,20H2,(H,28,29).
What are the key properties of N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 424.55 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 134588905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).