14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide

C28H35N3O4 — CID 123357667

IUPAC14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide
SMILESCc1ncccc1NC(=O)C1=CCC2C1(C)CC=C1C=C3C(O)C(O)C(N(C)C)CC34CCC12O4
InChIInChI=1S/C28H35N3O4/c1-16-20(6-5-13-29-16)30-25(34)18-7-8-22-26(18,2)10-9-17-14-19-23(32)24(33)21(31(3)4)15-27(19)11-12-28(17,22)35-27/h5-7,9,13-14,21-24,32-33H,8,10-12,15H2,1-4H3,(H,30,34)
InChIKeyKNVKUNHSYDZCOP-UHFFFAOYSA-N
MW477.61 g/mol
LogP2.89
Rot. Bonds3

About 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide

14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide (PubChem CID 123357667) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide.

Molecular Properties

Compound Name14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide
PubChem CID123357667
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide
SMILESCc1ncccc1NC(=O)C1=CCC2C1(C)CC=C1C=C3C(O)C(O)C(N(C)C)CC34CCC12O4
InChIInChI=1S/C28H35N3O4/c1-16-20(6-5-13-29-16)30-25(34)18-7-8-22-26(18,2)10-9-17-14-19-23(32)24(33)21(31(3)4)15-27(19)11-12-28(17,22)35-27/h5-7,9,13-14,21-24,32-33H,8,10-12,15H2,1-4H3,(H,30,34)
InChIKeyKNVKUNHSYDZCOP-UHFFFAOYSA-N
XLogP2.89
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide?
The IUPAC name of 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide (CID 123357667) is 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide.
What is the SMILES notation for 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide?
The canonical SMILES for 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide is Cc1ncccc1NC(=O)C1=CCC2C1(C)CC=C1C=C3C(O)C(O)C(N(C)C)CC34CCC12O4.
What is the InChIKey of 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide?
The InChIKey is KNVKUNHSYDZCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-16-20(6-5-13-29-16)30-25(34)18-7-8-22-26(18,2)10-9-17-14-19-23(32)24(33)21(31(3)4)15-27(19)11-12-28(17,22)35-27/h5-7,9,13-14,21-24,32-33H,8,10-12,15H2,1-4H3,(H,30,34).
What are the key properties of 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide?
14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(dimethylamino)-12,13-dihydroxy-6-methyl-N-(2-methyl-3-pyridinyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8,10-triene-5-carboxamide is sourced from PubChem (CID 123357667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).