N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide

C32H30N6O — CID 501318

IUPACN'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide
SMILESCc1ccnc(/C(N)=N/c2ccc(-c3ccc(-c4ccc(/N=C(\N)c5cc(C)ccn5)cc4C)o3)c(C)c2)c1
InChIInChI=1S/C32H30N6O/c1-19-11-13-35-27(15-19)31(33)37-23-5-7-25(21(3)17-23)29-9-10-30(39-29)26-8-6-24(18-22(26)4)38-32(34)28-16-20(2)12-14-36-28/h5-18H,1-4H3,(H2,33,37)(H2,34,38)
InChIKeyIWMIURNHEYQQOX-UHFFFAOYSA-N
MW514.63 g/mol
LogP6.71
Rot. Bonds6

About N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide

N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide (PubChem CID 501318) has the molecular formula C32H30N6O and a molecular weight of 514.63 g/mol. Its IUPAC name is N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide
PubChem CID501318
Molecular FormulaC32H30N6O
Molecular Weight514.63 g/mol
Exact Mass514.25
IUPAC NameN'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide
SMILESCc1ccnc(/C(N)=N/c2ccc(-c3ccc(-c4ccc(/N=C(\N)c5cc(C)ccn5)cc4C)o3)c(C)c2)c1
InChIInChI=1S/C32H30N6O/c1-19-11-13-35-27(15-19)31(33)37-23-5-7-25(21(3)17-23)29-9-10-30(39-29)26-8-6-24(18-22(26)4)38-32(34)28-16-20(2)12-14-36-28/h5-18H,1-4H3,(H2,33,37)(H2,34,38)
InChIKeyIWMIURNHEYQQOX-UHFFFAOYSA-N
XLogP6.71
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide?
The IUPAC name of N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide (CID 501318) is N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide.
What is the SMILES notation for N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide?
The canonical SMILES for N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide is Cc1ccnc(/C(N)=N/c2ccc(-c3ccc(-c4ccc(/N=C(\N)c5cc(C)ccn5)cc4C)o3)c(C)c2)c1.
What is the InChIKey of N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide?
The InChIKey is IWMIURNHEYQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O/c1-19-11-13-35-27(15-19)31(33)37-23-5-7-25(21(3)17-23)29-9-10-30(39-29)26-8-6-24(18-22(26)4)38-32(34)28-16-20(2)12-14-36-28/h5-18H,1-4H3,(H2,33,37)(H2,34,38).
What are the key properties of N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide?
N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide has a molecular weight of 514.63 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[5-[4-[[amino-(4-methyl-2-pyridinyl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-4-methylpyridine-2-carboximidamide is sourced from PubChem (CID 501318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).