6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde

C24H30N4O2 — CID 155030047

IUPAC6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
SMILES[H]/N=C(/c1c(N2CCC(COC)CC2)cc(C=O)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C24H30N4O2/c1-30-16-17-10-12-28(13-11-17)21-14-20(15-29)27-24(26-19-8-3-2-4-9-19)22(21)23(25)18-6-5-7-18/h2-4,8-9,14-15,17-18,25H,5-7,10-13,16H2,1H3,(H,26,27)/b25-23+
InChIKeyYDNVJTIFMQNGMK-WJTDDFOZSA-N
MW406.53 g/mol
LogP4.67
Rot. Bonds8

About 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde

6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde (PubChem CID 155030047) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
PubChem CID155030047
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
SMILES[H]/N=C(/c1c(N2CCC(COC)CC2)cc(C=O)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C24H30N4O2/c1-30-16-17-10-12-28(13-11-17)21-14-20(15-29)27-24(26-19-8-3-2-4-9-19)22(21)23(25)18-6-5-7-18/h2-4,8-9,14-15,17-18,25H,5-7,10-13,16H2,1H3,(H,26,27)/b25-23+
InChIKeyYDNVJTIFMQNGMK-WJTDDFOZSA-N
XLogP4.67
TPSA78.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde?
The IUPAC name of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde (CID 155030047) is 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde is [H]/N=C(/c1c(N2CCC(COC)CC2)cc(C=O)nc1Nc1ccccc1)C1CCC1.
What is the InChIKey of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde?
The InChIKey is YDNVJTIFMQNGMK-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-30-16-17-10-12-28(13-11-17)21-14-20(15-29)27-24(26-19-8-3-2-4-9-19)22(21)23(25)18-6-5-7-18/h2-4,8-9,14-15,17-18,25H,5-7,10-13,16H2,1H3,(H,26,27)/b25-23+.
What are the key properties of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde?
6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde has a molecular weight of 406.53 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 155030047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).