5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide

C25H32N4O4 — CID 137422934

IUPAC5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1C(N)=O
InChIInChI=1S/C25H32N4O4/c1-14-12-18(21(28-20(14)23(26)31)15-8-10-33-11-9-15)27-24(32)29-22-16-6-4-5-7-17(16)25(2,3)13-19(22)30/h4-7,12,15,19,22,30H,8-11,13H2,1-3H3,(H2,26,31)(H2,27,29,32)/t19-,22-/m1/s1
InChIKeyUKKCZMHRLPJBKF-DENIHFKCSA-N
MW452.56 g/mol
LogP3.29
Rot. Bonds4

About 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide

5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 137422934) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID137422934
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1C(N)=O
InChIInChI=1S/C25H32N4O4/c1-14-12-18(21(28-20(14)23(26)31)15-8-10-33-11-9-15)27-24(32)29-22-16-6-4-5-7-17(16)25(2,3)13-19(22)30/h4-7,12,15,19,22,30H,8-11,13H2,1-3H3,(H2,26,31)(H2,27,29,32)/t19-,22-/m1/s1
InChIKeyUKKCZMHRLPJBKF-DENIHFKCSA-N
XLogP3.29
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide (CID 137422934) is 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1C(N)=O.
What is the InChIKey of 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is UKKCZMHRLPJBKF-DENIHFKCSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-14-12-18(21(28-20(14)23(26)31)15-8-10-33-11-9-15)27-24(32)29-22-16-6-4-5-7-17(16)25(2,3)13-19(22)30/h4-7,12,15,19,22,30H,8-11,13H2,1-3H3,(H2,26,31)(H2,27,29,32)/t19-,22-/m1/s1.
What are the key properties of 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide?
5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 137422934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).