2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide

C25H26N6O3 — CID 86297277

IUPAC2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H26N6O3/c1-25(2,16-26)21-12-18(5-6-27-21)23(32)30-19-14-20(24(33-3)29-15-19)17-4-7-28-22(13-17)31-8-10-34-11-9-31/h4-7,12-15H,8-11H2,1-3H3,(H,30,32)
InChIKeyDGVMTMIZIBKSLP-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.44
Rot. Bonds6

About 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 86297277) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID86297277
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H26N6O3/c1-25(2,16-26)21-12-18(5-6-27-21)23(32)30-19-14-20(24(33-3)29-15-19)17-4-7-28-22(13-17)31-8-10-34-11-9-31/h4-7,12-15H,8-11H2,1-3H3,(H,30,32)
InChIKeyDGVMTMIZIBKSLP-UHFFFAOYSA-N
XLogP3.44
TPSA113.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide (CID 86297277) is 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide is COc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is DGVMTMIZIBKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-25(2,16-26)21-12-18(5-6-27-21)23(32)30-19-14-20(24(33-3)29-15-19)17-4-7-28-22(13-17)31-8-10-34-11-9-31/h4-7,12-15H,8-11H2,1-3H3,(H,30,32).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 86297277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).