6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide

C26H29N5O2 — CID 110527419

IUPAC6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H29N5O2/c1-2-17-33-22-13-11-20(12-14-22)19-27-30-25(32)24-18-23(21-9-5-3-6-10-21)28-26(29-24)31-15-7-4-8-16-31/h3,5-6,9-14,18-19H,2,4,7-8,15-17H2,1H3,(H,30,32)/b27-19+
InChIKeyKMKOIEZZFQELSE-ZXVVBBHZSA-N
MW443.55 g/mol
LogP4.69
Rot. Bonds8

About 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide

6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide (PubChem CID 110527419) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide
PubChem CID110527419
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H29N5O2/c1-2-17-33-22-13-11-20(12-14-22)19-27-30-25(32)24-18-23(21-9-5-3-6-10-21)28-26(29-24)31-15-7-4-8-16-31/h3,5-6,9-14,18-19H,2,4,7-8,15-17H2,1H3,(H,30,32)/b27-19+
InChIKeyKMKOIEZZFQELSE-ZXVVBBHZSA-N
XLogP4.69
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-(1-ethylindol-3-yl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 110527441
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6881094
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135547249
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
6-methyl-2-oxo-N-[(E)-[4-(3-phenylpropoxy)phenyl]methylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525978
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525561
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 174239575

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide?
The IUPAC name of 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide (CID 110527419) is 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide is CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide?
The InChIKey is KMKOIEZZFQELSE-ZXVVBBHZSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-2-17-33-22-13-11-20(12-14-22)19-27-30-25(32)24-18-23(21-9-5-3-6-10-21)28-26(29-24)31-15-7-4-8-16-31/h3,5-6,9-14,18-19H,2,4,7-8,15-17H2,1H3,(H,30,32)/b27-19+.
What are the key properties of 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide?
6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 110527419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).