6-(N-butylanilino)pyridine-3-carboximidamide

C16H20N4 — CID 64584617

IUPAC6-(N-butylanilino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCCC)c2ccccc2)nc1
InChIInChI=1S/C16H20N4/c1-2-3-11-20(14-7-5-4-6-8-14)15-10-9-13(12-19-15)16(17)18/h4-10,12H,2-3,11H2,1H3,(H3,17,18)
InChIKeyPALCDCDDDKGZMN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds6

About 6-(N-butylanilino)pyridine-3-carboximidamide

6-(N-butylanilino)pyridine-3-carboximidamide (PubChem CID 64584617) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-(N-butylanilino)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(N-butylanilino)pyridine-3-carboximidamide
PubChem CID64584617
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-(N-butylanilino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCCC)c2ccccc2)nc1
InChIInChI=1S/C16H20N4/c1-2-3-11-20(14-7-5-4-6-8-14)15-10-9-13(12-19-15)16(17)18/h4-10,12H,2-3,11H2,1H3,(H3,17,18)
InChIKeyPALCDCDDDKGZMN-UHFFFAOYSA-N
XLogP3.30
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-(N-butylanilino)benzenecarboximidamide
CID 114883833
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
CID 77047547
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 60985659
4-butoxybenzenecarboximidamide
CID 3015454
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
3-[(N-butylanilino)methyl]pyridine-2-carboximidamide
CID 64585399
6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboximidamide
CID 54943583
6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
CID 112660156
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
CID 145422995
6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carboximidamide
CID 43563471

Frequently Asked Questions

What is the IUPAC name of 6-(N-butylanilino)pyridine-3-carboximidamide?
The IUPAC name of 6-(N-butylanilino)pyridine-3-carboximidamide (CID 64584617) is 6-(N-butylanilino)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(N-butylanilino)pyridine-3-carboximidamide?
The canonical SMILES for 6-(N-butylanilino)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N(CCCC)c2ccccc2)nc1.
What is the InChIKey of 6-(N-butylanilino)pyridine-3-carboximidamide?
The InChIKey is PALCDCDDDKGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-3-11-20(14-7-5-4-6-8-14)15-10-9-13(12-19-15)16(17)18/h4-10,12H,2-3,11H2,1H3,(H3,17,18).
What are the key properties of 6-(N-butylanilino)pyridine-3-carboximidamide?
6-(N-butylanilino)pyridine-3-carboximidamide has a molecular weight of 268.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-butylanilino)pyridine-3-carboximidamide is sourced from PubChem (CID 64584617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).