6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C29H33N5O3 — CID 16733945

IUPAC6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(c2ccc(OC(C)C)nc2)N2CC[C@@H](NC(=O)c3ccc(C#N)nc3)C2)cc1
InChIInChI=1S/C29H33N5O3/c1-19(2)36-26-10-6-21(7-11-26)28(22-8-12-27(32-16-22)37-20(3)4)34-14-13-25(18-34)33-29(35)23-5-9-24(15-30)31-17-23/h5-12,16-17,19-20,25,28H,13-14,18H2,1-4H3,(H,33,35)/t25-,28?/m1/s1
InChIKeyWGUJJCJLIXDYBD-RXVAYIKUSA-N
MW499.62 g/mol
LogP4.52
Rot. Bonds9

About 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 16733945) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID16733945
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(c2ccc(OC(C)C)nc2)N2CC[C@@H](NC(=O)c3ccc(C#N)nc3)C2)cc1
InChIInChI=1S/C29H33N5O3/c1-19(2)36-26-10-6-21(7-11-26)28(22-8-12-27(32-16-22)37-20(3)4)34-14-13-25(18-34)33-29(35)23-5-9-24(15-30)31-17-23/h5-12,16-17,19-20,25,28H,13-14,18H2,1-4H3,(H,33,35)/t25-,28?/m1/s1
InChIKeyWGUJJCJLIXDYBD-RXVAYIKUSA-N
XLogP4.52
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 16733945) is 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(C(c2ccc(OC(C)C)nc2)N2CC[C@@H](NC(=O)c3ccc(C#N)nc3)C2)cc1.
What is the InChIKey of 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is WGUJJCJLIXDYBD-RXVAYIKUSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-19(2)36-26-10-6-21(7-11-26)28(22-8-12-27(32-16-22)37-20(3)4)34-14-13-25(18-34)33-29(35)23-5-9-24(15-30)31-17-23/h5-12,16-17,19-20,25,28H,13-14,18H2,1-4H3,(H,33,35)/t25-,28?/m1/s1.
What are the key properties of 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(3R)-1-[(4-propan-2-yloxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 16733945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).