N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide

C30H39N5 — CID 140701021

IUPACN-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide
SMILES[H]/N=C(\N=C(/C)N)c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)ccn1
InChIInChI=1S/C30H39N5/c1-4-6-8-10-24-12-16-26(17-13-24)35(27-18-14-25(15-19-27)11-9-7-5-2)28-20-21-33-29(22-28)30(32)34-23(3)31/h12-22H,4-11H2,1-3H3,(H3,31,32,34)
InChIKeyBWFIQFYUSDHTIT-UHFFFAOYSA-N
MW469.68 g/mol
LogP7.72
Rot. Bonds12

About N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide

N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide (PubChem CID 140701021) has the molecular formula C30H39N5 and a molecular weight of 469.68 g/mol. Its IUPAC name is N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide
PubChem CID140701021
Molecular FormulaC30H39N5
Molecular Weight469.68 g/mol
Exact Mass469.32
IUPAC NameN-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide
SMILES[H]/N=C(\N=C(/C)N)c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)ccn1
InChIInChI=1S/C30H39N5/c1-4-6-8-10-24-12-16-26(17-13-24)35(27-18-14-25(15-19-27)11-9-7-5-2)28-20-21-33-29(22-28)30(32)34-23(3)31/h12-22H,4-11H2,1-3H3,(H3,31,32,34)
InChIKeyBWFIQFYUSDHTIT-UHFFFAOYSA-N
XLogP7.72
TPSA78.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.68
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-bis(4-pentylphenyl)pyridin-4-amine
CID 118346908
[N-ethanimidoyl-C-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]carbonimidoyl]azanide;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701020
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
fluoro N-(4-hexylbenzenecarboximidoyl)ethanimidothioate
CID 156543742
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140701100
1,1,1-trifluoro-4-imino-4-(4-nonyl-2-pyridinyl)but-2-en-2-amine
CID 140687388
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
4-hexyl-N,N-diphenylaniline
CID 20525221
[(Z)-4,4,4-trifluoro-3-imino-1-[1-methyl-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridin-1-ium-2-yl]but-1-enyl]azanide
CID 157288797

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide?
The IUPAC name of N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide (CID 140701021) is N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide.
What is the SMILES notation for N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide?
The canonical SMILES for N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide is [H]/N=C(\N=C(/C)N)c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)ccn1.
What is the InChIKey of N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide?
The InChIKey is BWFIQFYUSDHTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5/c1-4-6-8-10-24-12-16-26(17-13-24)35(27-18-14-25(15-19-27)11-9-7-5-2)28-20-21-33-29(22-28)30(32)34-23(3)31/h12-22H,4-11H2,1-3H3,(H3,31,32,34).
What are the key properties of N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide?
N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide has a molecular weight of 469.68 g/mol, XLogP of 7.72, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridine-2-carboximidamide is sourced from PubChem (CID 140701021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).