About N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118143627) has the molecular formula C32H34N4O3
and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide |
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| PubChem CID | 118143627 |
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| Molecular Formula | C32H34N4O3 |
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| Molecular Weight | 522.65 g/mol |
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| Exact Mass | 522.26 |
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| IUPAC Name | N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide |
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| SMILES | Cc1ccc(C(=O)N2CCC(c3ccc(-c4ccco4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1 |
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| InChI | InChI=1S/C32H34N4O3/c1-21(2)34-30-13-12-27(20-33-30)31(37)35-28-19-26(7-6-22(28)3)32(38)36-16-14-24(15-17-36)23-8-10-25(11-9-23)29-5-4-18-39-29/h4-13,18-21,24H,14-17H2,1-3H3,(H,33,34)(H,35,37) |
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| InChIKey | VYEQEJCQCXQTTL-UHFFFAOYSA-N |
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| XLogP | 6.74 |
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| TPSA | 87.47 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 522.65 |
| LogP ≤ 5 | 6.74 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 118143627) is N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(-c4ccco4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.
What is the InChIKey of N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is VYEQEJCQCXQTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-21(2)34-30-13-12-27(20-33-30)31(37)35-28-19-26(7-6-22(28)3)32(38)36-16-14-24(15-17-36)23-8-10-25(11-9-23)29-5-4-18-39-29/h4-13,18-21,24H,14-17H2,1-3H3,(H,33,34)(H,35,37).
What are the key properties of N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 6.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-(furan-2-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118143627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).