N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide

C25H29N5O4 — CID 118889548

IUPACN-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cncc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H29N5O4/c1-16-21(18-10-22(24(32)29(4)15-18)30-5-7-34-8-6-30)9-17(12-27-16)23(31)28-20-11-19(13-26-14-20)25(2,3)33/h9-15,33H,5-8H2,1-4H3,(H,28,31)
InChIKeySMTUSHZPVZHWHZ-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.47
Rot. Bonds5

About N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide

N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 118889548) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
PubChem CID118889548
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC NameN-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cncc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H29N5O4/c1-16-21(18-10-22(24(32)29(4)15-18)30-5-7-34-8-6-30)9-17(12-27-16)23(31)28-20-11-19(13-26-14-20)25(2,3)33/h9-15,33H,5-8H2,1-4H3,(H,28,31)
InChIKeySMTUSHZPVZHWHZ-UHFFFAOYSA-N
XLogP2.47
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide (CID 118889548) is N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cncc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is SMTUSHZPVZHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-16-21(18-10-22(24(32)29(4)15-18)30-5-7-34-8-6-30)9-17(12-27-16)23(31)28-20-11-19(13-26-14-20)25(2,3)33/h9-15,33H,5-8H2,1-4H3,(H,28,31).
What are the key properties of N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 118889548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).